N-(4-methoxy-2-nitro-phenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-methoxy-2-nitro-phenyl)-2-[(5-phenethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O4S/c1-34-20-13-14-21(22(16-20)30(32)33)26-24(31)17-35-25-28-27-23(15-12-18-8-4-2-5-9-18)29(25)19-10-6-3-7-11-19/h2-11,13-14,16H,12,15,17H2,1H3,(H,26,31)