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

Systemtic Name: N-[[5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Openeye Name: N-[[5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide CAS Name: N-[[5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide IUPAC Name: N-[[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylbenzamide Traditional Name: N-[[5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methyl-benzamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N4O3S/c1-14-4-6-16(7-5-14)20(27)22-12-19-23-24-21(25(19)2)29-13-18(26)15-8-10-17(28-3)11-9-15/h4-11H,12-13H2,1-3H3,(H,22,27)