3-(3,4-dimethoxyphenyl)-N-[[5-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-[[5-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide Openeye Name: N-[[4-allyl-5-[2-(2-ethylanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[[5-[[2-(2-ethylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-2-propenamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-[[5-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide Traditional Name: N-[[4-allyl-5-[[2-(2-ethylanilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3-(3,4-dimethoxyphenyl)acrylamide Formula: C27H31N5O4S MolecularWeight: 521.63114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)CNC(=O)C=CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H31N5O4S/c1-5-15-32-24(17-28-25(33)14-12-19-11-13-22(35-3)23(16-19)36-4)30-31-27(32)37-18-26(34)29-21-10-8-7-9-20(21)6-2/h5,7-14,16H,1,6,15,17-18H2,2-4H3,(H,28,33)(H,29,34)