1-butyl-4-(4-methylphenyl)sulfonyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-butyl-4-(4-methylphenyl)sulfonyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-butyl-4-(p-tolylsulfonyl)tetrazol-5-one CAS Name: 1-butyl-4-(4-methylphenyl)sulfonyl-5-tetrazolone IUPAC Name: 1-butyl-4-(4-methylphenyl)sulfonyltetrazol-5-one Traditional Name: 1-butyl-4-tosyl-tetrazol-5-one Formula: C12H16N4O3S MolecularWeight: 296.34544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)N(N=N1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCN1C(=O)N(N=N1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C12H16N4O3S/c1-3-4-9-15-12(17)16(14-13-15)20(18,19)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3