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

Systemtic Name: N-[(2-bromophenyl)methyl]-N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-[(2-bromophenyl)methyl]-N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[(2-bromophenyl)methyl]-N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-[(2-bromophenyl)methyl]-N-methyl-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(2-bromobenzyl)-N-methyl-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=CC=C3Br

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=CC=C3Br

InChI

InChI=1S/C20H21BrN4OS/c1-14-6-5-8-15(12-14)19-22-23-20(27)25(19)11-10-18(26)24(2)13-16-7-3-4-9-17(16)21/h3-9,12H,10-11,13H2,1-2H3,(H,23,27)