PDB CCD ID: | WW1 |
Number of entries in BioLiP: | 0 |
Chemical formula: | C12 H13 N5 S |
InChI: | InChI=1S/C12H13N5S/c1-9(10-5-3-2-4-6-10)7-18-12-16-15-11-13-8-14-17(11)12/h2-6,8-9H,7H2,1H3,(H,13,14,15)/t9-/m0/s1 |
InChIKey: | MWDGBNUBPZOQNW-VIFPVBQESA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.7 | CC(CSc1nnc2n1nc[nH]2)c3ccccc3 | CACTVS 3.385 | C[CH](CSc1nnc2[nH]cnn12)c3ccccc3 | OpenEye OEToolkits 2.0.7 | C[C@@H](CSc1nnc2n1nc[nH]2)c3ccccc3 | CACTVS 3.385 | C[C@@H](CSc1nnc2[nH]cnn12)c3ccccc3 | ACDLabs 12.01 | c3nc1n(c(nn1)SCC(c2ccccc2)C)n3 |
|
Name: | 3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole |