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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)NN3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)NN3

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/h1-6H,7H2,(H2,12,13,18)