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

Systemtic Name: 1-butyl-4-(phenylsulfonyl)-1,2,3,4-tetrazol-5-one Openeye Name: 1-(benzenesulfonyl)-4-butyl-tetrazol-5-one CAS Name: 1-(benzenesulfonyl)-4-butyl-5-tetrazolone IUPAC Name: 1-(benzenesulfonyl)-4-butyltetrazol-5-one Traditional Name: 1-besyl-4-butyl-tetrazol-5-one Formula: C11H14N4O3S MolecularWeight: 282.31886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O3S/c1-2-3-9-14-11(16)15(13-12-14)19(17,18)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3