N-(3-chloranyl-4-methyl-phenyl)-3-[5-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-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-prop-2-enyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-allyl-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-[5-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-allyl-5-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-1,2,4-triazol-3-yl]-N-(3-chloro-4-methyl-phenyl)propionamide Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C24H25ClN4O3S/c1-4-13-29-22(11-12-23(31)26-18-8-5-16(2)20(25)14-18)27-28-24(29)33-15-21(30)17-6-9-19(32-3)10-7-17/h4-10,14H,1,11-13,15H2,2-3H3,(H,26,31)