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

Systemtic Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-[[4-cyclopropyl-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-[(4-cyclopropyl-5-pyrrolidino-1,2,4-triazol-3-yl)thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C24H26N6O3S MolecularWeight: 478.56664

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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)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O3S/c1-16-9-12-19(20(15-16)30(32)33)25-22(31)21(17-7-3-2-4-8-17)34-24-27-26-23(28-13-5-6-14-28)29(24)18-10-11-18/h2-4,7-9,12,15,18,21H,5-6,10-11,13-14H2,1H3,(H,25,31)