2-(1,3-benzothiazol-2-yl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one Openeye Name: 2-(1,3-benzothiazol-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one CAS Name: 2-(1,3-benzothiazol-2-yl)-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-4H-pyrazol-3-one IUPAC Name: 2-(1,3-benzothiazol-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one Traditional Name: 2-(1,3-benzothiazol-2-yl)-5-[[(1-phenyltetrazol-5-yl)thio]methyl]-2-pyrazolin-3-one Formula: C18H13N7OS2 MolecularWeight: 407.47212

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CSC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C18H13N7OS2/c26-16-10-12(21-25(16)17-19-14-8-4-5-9-15(14)28-17)11-27-18-20-22-23-24(18)13-6-2-1-3-7-13/h1-9H,10-11H2