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

Systemtic Name: (2S)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: (2S)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C25H22N6O3S MolecularWeight: 486.54558

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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)C5=CN=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CN=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H22N6O3S/c1-16-9-12-20(21(14-16)31(33)34)27-24(32)22(17-6-3-2-4-7-17)35-25-29-28-23(30(25)19-10-11-19)18-8-5-13-26-15-18/h2-9,12-15,19,22H,10-11H2,1H3,(H,27,32)/t22-/m0/s1