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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-[4-(dimethylamino)benzyl]-N-methyl-3-[3-(m-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=CC(=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=C(C=C3)N(C)C

Isomeric SMILES

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

InChI

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