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

Systemtic Name: 3-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromophenyl)propanamide Openeye Name: 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromophenyl)propanamide CAS Name: 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-bromophenyl)propanamide IUPAC Name: 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromophenyl)propanamide Traditional Name: 3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-bromophenyl)propionamide Formula: C17H16BrN5OS MolecularWeight: 418.31084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCCC(=O)NC3=CC=CC=C3Br

InChI

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