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

Systemtic Name: 2-[[4-azanyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[[4-amino-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(3-bromophenyl)acetamide Formula: C17H16BrN5OS MolecularWeight: 418.31084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H16BrN5OS/c1-11-5-7-12(8-6-11)16-21-22-17(23(16)19)25-10-15(24)20-14-4-2-3-13(18)9-14/h2-9H,10,19H2,1H3,(H,20,24)