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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Br

InChI

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