1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one

Systemtic Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-(2-thienyl)tetrazol-5-one Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=O)N(N=N3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=O)N(N=N3)C4=CC=CS4)OC

InChI

InChI=1S/C18H19N5O4S/c1-26-14-8-12-5-6-21(10-13(12)9-15(14)27-2)16(24)11-22-18(25)23(20-19-22)17-4-3-7-28-17/h3-4,7-9H,5-6,10-11H2,1-2H3