N-[(1S,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N4OS/c1-12-7-5-6-10-14(12)18-15(22)11-23-17-19-16(20-21-17)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3,(H,18,22)(H,19,20,21)/t12-,14-/m0/s1