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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-[4-(dimethylamino)benzyl]-N-methyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H27N5OS/c1-16-5-9-18(10-6-16)21-23-24-22(29)27(21)14-13-20(28)26(4)15-17-7-11-19(12-8-17)25(2)3/h5-12H,13-15H2,1-4H3,(H,24,29)