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

Systemtic Name: N-(4-bromophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-bromophenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN4OS/c1-12-4-6-14(7-5-12)17-22-23-19(24(17)3)26-13(2)18(25)21-16-10-8-15(20)9-11-16/h4-11,13H,1-3H3,(H,21,25)