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

Systemtic Name: 1-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxo-ethyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[2-[2-(4-methoxyphenyl)-1-azepanyl]-2-oxoethyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[2-keto-2-[2-(4-methoxyphenyl)azepan-1-yl]ethyl]-4-(2-thienyl)tetrazol-5-one Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C20H23N5O3S/c1-28-16-10-8-15(9-11-16)17-6-3-2-4-12-23(17)18(26)14-24-20(27)25(22-21-24)19-7-5-13-29-19/h5,7-11,13,17H,2-4,6,12,14H2,1H3