3-methyl-N-[[5-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 3-methyl-N-[[5-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 3-methyl-N-[[5-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 3-methyl-N-[[5-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 3-methyl-N-[[5-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[5-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]methyl]-3-methyl-benzamide Formula: C26H23N5O4S MolecularWeight: 501.55692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC(=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O4S/c1-17-7-6-8-20(13-17)25(33)27-15-24-28-29-26(30(24)21-9-4-3-5-10-21)36-16-23(32)19-12-11-18(2)22(14-19)31(34)35/h3-14H,15-16H2,1-2H3,(H,27,33)