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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-[[2-(4-methylphenyl)carbonyl-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[[2-(4-methylbenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[[2-[(4-methylphenyl)-oxomethyl]-5-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-[[2-(4-methylbenzoyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-[(5-phenyl-2-p-toluoyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C25H21N5O5S MolecularWeight: 503.52974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)C3=CC=CC=C3)SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C25H21N5O5S/c1-16-8-10-18(11-9-16)24(32)29-25(27-23(28-29)17-6-4-3-5-7-17)36-15-22(31)26-20-13-12-19(30(33)34)14-21(20)35-2/h3-14H,15H2,1-2H3,(H,26,31)