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

Systemtic Name: 4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-pyrazol-1-yl-butan-1-one Openeye Name: 4-(1-methyltetrazol-5-yl)sulfanyl-1-pyrazol-1-yl-butan-1-one CAS Name: 4-[(1-methyl-5-tetrazolyl)thio]-1-(1-pyrazolyl)-1-butanone IUPAC Name: 4-(1-methyltetrazol-5-yl)sulfanyl-1-pyrazol-1-ylbutan-1-one Traditional Name: 4-[(1-methyltetrazol-5-yl)thio]-1-pyrazol-1-yl-butan-1-one Formula: C9H12N6OS MolecularWeight: 252.29618

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)N2C=CC=N2

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)N2C=CC=N2

InChI

InChI=1S/C9H12N6OS/c1-14-9(11-12-13-14)17-7-2-4-8(16)15-6-3-5-10-15/h3,5-6H,2,4,7H2,1H3