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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-[5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-[5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]propanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-[5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C22H23ClN4O3S/c1-14-4-7-16(12-18(14)23)24-21(29)11-10-20-25-26-22(27(20)2)31-13-19(28)15-5-8-17(30-3)9-6-15/h4-9,12H,10-11,13H2,1-3H3,(H,24,29)