4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-pyrazol-1-yl-butan-1-one

Systemtic Name: 4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-pyrazol-1-yl-butan-1-one Openeye Name: 4-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrazol-1-yl-butan-1-one CAS Name: 4-[(1-phenyl-5-tetrazolyl)thio]-1-(1-pyrazolyl)-1-butanone IUPAC Name: 4-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrazol-1-ylbutan-1-one Traditional Name: 4-[(1-phenyltetrazol-5-yl)thio]-1-pyrazol-1-yl-butan-1-one Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)N3C=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)N3C=CC=N3

InChI

InChI=1S/C14H14N6OS/c21-13(19-10-5-9-15-19)8-4-11-22-14-16-17-18-20(14)12-6-2-1-3-7-12/h1-3,5-7,9-10H,4,8,11H2