(2R)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: (2R)-2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: (2R)-2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: (2R)-2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: (2R)-2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C25H28N6O3S MolecularWeight: 492.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)SC3=NN=C(N3C4CC4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O3S/c1-17-10-13-20(21(16-17)31(33)34)26-23(32)22(18-8-4-2-5-9-18)35-25-28-27-24(30(25)19-11-12-19)29-14-6-3-7-15-29/h2,4-5,8-10,13,16,19,22H,3,6-7,11-12,14-15H2,1H3,(H,26,32)/t22-/m1/s1