2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromophenyl)ethanone

Systemtic Name: 2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromophenyl)ethanone Openeye Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3-bromophenyl)ethanone CAS Name: 2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-(3-bromophenyl)ethanone IUPAC Name: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromophenyl)ethanone Traditional Name: 2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-1-(3-bromophenyl)ethanone Formula: C15H12BrN5OS MolecularWeight: 390.25768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)CSC2=NN=C(N2N)C3=CN=CC=C3

InChI

InChI=1S/C15H12BrN5OS/c16-12-5-1-3-10(7-12)13(22)9-23-15-20-19-14(21(15)17)11-4-2-6-18-8-11/h1-8H,9,17H2