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

Systemtic Name: 2-[[4-azanyl-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[[4-amino-5-(2-bromophenyl)-1,2,4-triazol-3-yl]thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C18H15BrN6OS MolecularWeight: 443.3203

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Br

InChI

InChI=1S/C18H15BrN6OS/c19-15-9-5-4-8-14(15)17-22-23-18(25(17)21)27-12-16(26)24(11-10-20)13-6-2-1-3-7-13/h1-9H,11-12,21H2