4-[(1S,2R)-2-methylcyclohexyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(1S,2R)-2-methylcyclohexyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(1S,2R)-2-methylcyclohexyl]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(1S,2R)-2-methylcyclohexyl]-3-(3-pyridinyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(1S,2R)-2-methylcyclohexyl]-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(1S,2R)-2-methylcyclohexyl]-3-(3-pyridyl)-1H-1,2,4-triazole-5-thione Formula: C14H18N4S MolecularWeight: 274.38452

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N2C(=NNC2=S)C3=CN=CC=C3

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1N2C(=NNC2=S)C3=CN=CC=C3

InChI

InChI=1S/C14H18N4S/c1-10-5-2-3-7-12(10)18-13(16-17-14(18)19)11-6-4-8-15-9-11/h4,6,8-10,12H,2-3,5,7H2,1H3,(H,17,19)/t10-,12+/m1/s1