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

Systemtic Name: N-[[5-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-[[2-keto-2-(p-phenetidino)ethyl]thio]-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-2-methyl-3-nitro-benzamide Formula: C28H28N6O5S MolecularWeight: 560.62412

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)CNC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)CNC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C28H28N6O5S/c1-4-39-22-13-11-20(12-14-22)30-26(35)17-40-28-32-31-25(33(28)21-8-5-7-18(2)15-21)16-29-27(36)23-9-6-10-24(19(23)3)34(37)38/h5-15H,4,16-17H2,1-3H3,(H,29,36)(H,30,35)