1-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(4-butylphenyl)-2-oxo-ethyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[2-(4-butylphenyl)-2-oxoethyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[2-(4-butylphenyl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[2-(4-butylphenyl)-2-keto-ethyl]-4-(2-thienyl)tetrazol-5-one Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CN2C(=O)N(N=N2)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CN2C(=O)N(N=N2)C3=CC=CS3

InChI

InChI=1S/C17H18N4O2S/c1-2-3-5-13-7-9-14(10-8-13)15(22)12-20-17(23)21(19-18-20)16-6-4-11-24-16/h4,6-11H,2-3,5,12H2,1H3