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

Systemtic Name: N-(4-bromophenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(4-bromophenyl)-2-[[5-methyl-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-(4-bromophenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(4-bromophenyl)-2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(4-bromophenyl)-2-[[5-methyl-4-(m-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=C1)N2C(=NN=C2SC(C)C(=O)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SC(C)C(=O)NC3=CC=C(C=C3)Br)C

InChI

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