N-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]ethanamide

Systemtic Name: N-[4-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-oxidanylidene-1-phenyl-4H-pyrazol-3-yl]ethanamide Openeye Name: N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide CAS Name: N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide IUPAC Name: N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-5-oxo-1-phenyl-4H-pyrazol-3-yl]acetamide Traditional Name: N-[4-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-5-keto-1-phenyl-2-pyrazolin-3-yl]acetamide Formula: C13H13N7O2S MolecularWeight: 331.35302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=O)C1SC2=NNC(=N2)N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NN(C(=O)C1SC2=NNC(=N2)N)C3=CC=CC=C3

InChI

InChI=1S/C13H13N7O2S/c1-7(21)15-10-9(23-13-16-12(14)17-18-13)11(22)20(19-10)8-5-3-2-4-6-8/h2-6,9H,1H3,(H,15,19,21)(H3,14,16,17,18)