1-[2-(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-(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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-4-(2-thienyl)tetrazol-5-one CAS Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-thiophen-2-yl-5-tetrazolone IUPAC Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-thiophen-2-yltetrazol-5-one Traditional Name: 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-4-(2-thienyl)tetrazol-5-one Formula: C16H15N5O2S MolecularWeight: 341.3876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)N(N=N3)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CN3C(=O)N(N=N3)C4=CC=CS4

InChI

InChI=1S/C16H15N5O2S/c22-14(19-8-7-12-4-1-2-5-13(12)10-19)11-20-16(23)21(18-17-20)15-6-3-9-24-15/h1-6,9H,7-8,10-11H2