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

Systemtic Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide Openeye Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[[4-(methylthio)phenyl]methyl]propanamide IUPAC Name: N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(4-methylsulfanylphenyl)methyl]propanamide Traditional Name: N-methyl-N-[4-(methylthio)benzyl]-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS2/c1-15-5-4-6-17(13-15)20-22-23-21(27)25(20)12-11-19(26)24(2)14-16-7-9-18(28-3)10-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,23,27)