2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone CAS Name: 2-[(1-methyl-5-tetrazolyl)thio]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-(1-methyltetrazol-5-yl)sulfanyl-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 2-[(1-methyltetrazol-5-yl)thio]-1-(3-phenyl-2-pyrazolin-1-yl)ethanone Formula: C13H14N6OS MolecularWeight: 302.35486

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC(=O)N2CCC(=N2)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=N1)SCC(=O)N2CCC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C13H14N6OS/c1-18-13(14-16-17-18)21-9-12(20)19-8-7-11(15-19)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3