1-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]-4-phenyl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxidanylidene-ethyl]-4-phenyl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(3-methylbenzothiophen-2-yl)-2-oxo-ethyl]-4-phenyl-tetrazol-5-one CAS Name: 1-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-4-phenyl-5-tetrazolone IUPAC Name: 1-[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl]-4-phenyltetrazol-5-one Traditional Name: 1-[2-keto-2-(3-methylbenzothiophen-2-yl)ethyl]-4-phenyl-tetrazol-5-one Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)CN3C(=O)N(N=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)CN3C(=O)N(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H14N4O2S/c1-12-14-9-5-6-10-16(14)25-17(12)15(23)11-21-18(24)22(20-19-21)13-7-3-2-4-8-13/h2-10H,11H2,1H3