methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[[5-(3-methoxyphenyl)-4-p-phenetyl-1,2,4-triazol-3-yl]thio]butyric acid methyl ester Formula: C29H27N5O5S MolecularWeight: 557.62018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC)C5=CC(=CC=C5)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC)C5=CC(=CC=C5)OC

InChI

InChI=1S/C29H27N5O5S/c1-4-39-20-14-12-19(13-15-20)34-27(18-8-7-9-21(16-18)37-2)32-33-29(34)40-17-24(35)25(28(36)38-3)26-30-22-10-5-6-11-23(22)31-26/h5-16,30-31H,4,17H2,1-3H3