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

Systemtic Name: 2-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]ethanamide Openeye Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide CAS Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(1S,2R)-2-methylcyclohexyl]acetamide IUPAC Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide Traditional Name: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(1S,2R)-2-methylcyclohexyl]acetamide Formula: C17H23N5OS MolecularWeight: 345.46242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3

InChI

InChI=1S/C17H23N5OS/c1-12-7-5-6-10-14(12)19-15(23)11-24-17-21-20-16(22(17)18)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11,18H2,1H3,(H,19,23)/t12-,14+/m1/s1