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

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,4-dihydropyrazol-5-one Openeye Name: 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,4-dihydropyrazol-5-one CAS Name: 3-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,4-dihydropyrazol-5-one IUPAC Name: 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,4-dihydropyrazol-5-one Traditional Name: 5-[[(1-phenyltetrazol-5-yl)thio]methyl]-2-pyrazolin-3-one Formula: C11H10N6OS MolecularWeight: 274.3017

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NNC1=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1C(=NNC1=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C11H10N6OS/c18-10-6-8(12-13-10)7-19-11-14-15-16-17(11)9-4-2-1-3-5-9/h1-5H,6-7H2,(H,13,18)