N-(2,3-dimethylcyclohexyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2,3-dimethylcyclohexyl)-2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2,3-dimethylcyclohexyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2,3-dimethylcyclohexyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2,3-dimethylcyclohexyl)-2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2,3-dimethylcyclohexyl)-2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1CCCC(C1C)NC(=O)C(C)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2S/c1-14-8-7-11-18(15(14)2)22-19(26)16(3)28-21-24-23-20(27)25(21)13-12-17-9-5-4-6-10-17/h4-6,9-10,14-16,18H,7-8,11-13H2,1-3H3,(H,22,26)(H,23,27)