(2R)-N-aminocarbonyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide

Systemtic Name: (2R)-N-aminocarbonyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide Openeye Name: (2R)-N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methyl-butanamide CAS Name: (2R)-N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-methylbutanamide IUPAC Name: (2R)-N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-methylbutanamide Traditional Name: (2R)-N-carbamoyl-2-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-3-methyl-butyramide Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)SC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)SC1=NN(C(=N1)C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C20H27N5O2S/c1-13(2)16(18(26)23-19(21)27)28-20-22-17(14-9-5-3-6-10-14)25(24-20)15-11-7-4-8-12-15/h4,7-8,11-14,16H,3,5-6,9-10H2,1-2H3,(H3,21,23,26,27)/t16-/m1/s1