3,4-dihydro-1H-isoquinolin-2-yl-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-thiophen-2-ylsulfonylimino-1-cyclohexa-2,5-dienylidene)methanolate IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-thiophen-2-ylsulfonyliminocyclohexa-2,5-dien-1-ylidene)methanolate Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(2-thienylsulfonylimino)cyclohexa-2,5-dien-1-ylidene]methanolate Formula: C20H17N2O3S2- MolecularWeight: 397.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=C3C=CC(=NS(=O)(=O)C4=CC=CS4)C=C3)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=C3C=CC(=NS(=O)(=O)C4=CC=CS4)C=C3)[O-]

InChI

InChI=1S/C20H18N2O3S2/c23-20(22-12-11-15-4-1-2-5-17(15)14-22)16-7-9-18(10-8-16)21-27(24,25)19-6-3-13-26-19/h1-10,13,23H,11-12,14H2/p-1