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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCCC(=O)N2C=CN=C2

Isomeric SMILES

CN1C(=NN=N1)SCCCC(=O)N2C=CN=C2

InChI

InChI=1S/C9H12N6OS/c1-14-9(11-12-13-14)17-6-2-3-8(16)15-5-4-10-7-15/h4-5,7H,2-3,6H2,1H3