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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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