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

Systemtic Name: N-(4-bromophenyl)-3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-3-[[4-methyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-bromophenyl)-3-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-3-[[4-methyl-5-(o-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=CC=C1C2=NN=C(N2C)SCCC(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C)SCCC(=O)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H19BrN4OS/c1-13-5-3-4-6-16(13)18-22-23-19(24(18)2)26-12-11-17(25)21-15-9-7-14(20)8-10-15/h3-10H,11-12H2,1-2H3,(H,21,25)