N-(4,5-dimethoxy-2-methyl-phenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(4,5-dimethoxy-2-methylphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(4,5-dimethoxy-2-methylphenyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(4,5-dimethoxy-2-methyl-phenyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C21H24N4O3S/c1-13-6-5-7-15(10-13)20-23-24-21(29)25(20)9-8-19(26)22-16-12-18(28-4)17(27-3)11-14(16)2/h5-7,10-12H,8-9H2,1-4H3,(H,22,26)(H,24,29)