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

Systemtic Name: 2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)ethanamide Openeye Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide CAS Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-bromophenyl)acetamide IUPAC Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-bromophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(3-bromophenyl)acetamide Formula: C13H14BrN5OS MolecularWeight: 368.25216

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C13H14BrN5OS/c14-9-2-1-3-10(6-9)16-11(20)7-21-13-18-17-12(19(13)15)8-4-5-8/h1-3,6,8H,4-5,7,15H2,(H,16,20)