1-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-phenyl-ethane-1,2-dione

Systemtic Name: 1-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-phenyl-ethane-1,2-dione Openeye Name: 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-phenyl-ethane-1,2-dione CAS Name: 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]phenyl]-2-phenylethane-1,2-dione IUPAC Name: 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-phenylethane-1,2-dione Traditional Name: 1-[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]phenyl]-2-phenyl-ethane-1,2-dione Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2SC3=NNC(=N3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2SC3=NNC(=N3)N

InChI

InChI=1S/C16H12N4O2S/c17-15-18-16(20-19-15)23-12-9-5-4-8-11(12)14(22)13(21)10-6-2-1-3-7-10/h1-9H,(H3,17,18,19,20)