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

Systemtic Name: N-[[5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-3-13-26-20(14-23-21(28)17-7-5-4-6-8-17)24-25-22(26)30-15-19(27)16-9-11-18(29-2)12-10-16/h3-12H,1,13-15H2,2H3,(H,23,28)