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

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(4-bromophenyl)ethanamide Openeye Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-bromophenyl)acetamide CAS Name: 2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-N-(4-bromophenyl)acetamide IUPAC Name: 2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)-N-(4-bromophenyl)acetamide Traditional Name: 2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]-N-(4-bromophenyl)acetamide Formula: C17H16BrN5OS MolecularWeight: 418.31084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)NC3=CC=C(C=C3)Br)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2CC(=O)NC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C17H16BrN5OS/c18-13-6-8-14(9-7-13)20-15(24)10-23-16(19)21-22-17(23)25-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,19,21)(H,20,24)