N-[[5-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[5-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-allyl-5-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[5-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[5-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-allyl-5-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]methyl]-3,4-dimethoxy-benzamide Formula: C26H31N5O4S MolecularWeight: 509.62044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N5O4S/c1-6-13-31-22(15-27-25(33)19-11-12-20(34-4)21(14-19)35-5)29-30-26(31)36-16-23(32)28-24-17(3)9-8-10-18(24)7-2/h6,8-12,14H,1,7,13,15-16H2,2-5H3,(H,27,33)(H,28,32)