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

Systemtic Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-thiophen-2-yl-1,2,3,4-tetrazol-5-one Openeye Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-(2-thienyl)tetrazol-5-one Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=O)N(N=N3)C4=CC=CS4)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)CN3C(=O)N(N=N3)C4=CC=CS4)OCC

InChI

InChI=1S/C19H23N5O3S/c1-3-26-16-10-14-7-8-22(12-15(14)11-17(16)27-4-2)13-23-19(25)24(21-20-23)18-6-5-9-28-18/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3