[4-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfonyl]-4,5-dihydro-1H-pyrazol-3-yl]-phenyl-methanone

Systemtic Name: [4-[(4-azanyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfonyl]-4,5-dihydro-1H-pyrazol-3-yl]-phenyl-methanone Openeye Name: [4-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfonyl]-4,5-dihydro-1H-pyrazol-3-yl]-phenyl-methanone CAS Name: [4-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfonyl]-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone IUPAC Name: [4-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methylsulfonyl]-4,5-dihydro-1H-pyrazol-3-yl]-phenylmethanone Traditional Name: [4-[(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)methylsulfonyl]-2-pyrazolin-3-yl]-phenyl-methanone Formula: C13H14N6O3S2 MolecularWeight: 366.41866

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=NN1)C(=O)C2=CC=CC=C2)S(=O)(=O)CC3=NNC(=S)N3N

Isomeric SMILES

C1C(C(=NN1)C(=O)C2=CC=CC=C2)S(=O)(=O)CC3=NNC(=S)N3N

InChI

InChI=1S/C13H14N6O3S2/c14-19-10(16-18-13(19)23)7-24(21,22)9-6-15-17-11(9)12(20)8-4-2-1-3-5-8/h1-5,9,15H,6-7,14H2,(H,18,23)