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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-bromophenyl)ethyl]ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-bromophenyl)ethyl]acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[1-(4-bromophenyl)ethyl]acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-bromophenyl)ethyl]acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-[1-(4-bromophenyl)ethyl]acetamide Formula: C12H14BrN5OS MolecularWeight: 356.24146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C12H14BrN5OS/c1-7(8-2-4-9(13)5-3-8)15-10(19)6-20-12-16-11(14)17-18-12/h2-5,7H,6H2,1H3,(H,15,19)(H3,14,16,17,18)