3-phenylazanyl-3-sulfanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-thiophen-2-yl-prop-1-en-1-olate

Systemtic Name: 3-phenylazanyl-3-sulfanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-thiophen-2-yl-prop-1-en-1-olate Openeye Name: 3-anilino-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate CAS Name: 3-anilino-3-sulfanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-thiophen-2-yl-1-propen-1-olate IUPAC Name: 3-anilino-3-sulfanylidene-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-thiophen-2-ylprop-1-en-1-olate Traditional Name: 3-anilino-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)-1-(2-thienyl)-3-thioxo-prop-1-en-1-olate Formula: C22H20N2OS2 MolecularWeight: 392.537

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)C(=C(C3=CC=CS3)[O-])C(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)C(=C(C3=CC=CS3)[O-])C(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H20N2OS2/c25-21(19-11-6-14-27-19)20(22(26)23-18-9-2-1-3-10-18)24-13-12-16-7-4-5-8-17(16)15-24/h1-3,6,9-15H,4-5,7-8H2,(H-,23,25,26)