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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)propanamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(3-methylphenyl)propanamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylphenyl)propanamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(m-tolyl)propionamide Formula: C18H18BrN5OS MolecularWeight: 432.33742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H18BrN5OS/c1-11-6-5-7-13(10-11)21-17(25)12(2)26-18-23-22-16(24(18)20)14-8-3-4-9-15(14)19/h3-10,12H,20H2,1-2H3,(H,21,25)