2-isoquinolin-2-ium-2-yl-3-[(3-methylphenyl)amino]-1-phenyl-3-sulfanylidene-prop-1-en-1-olate

Systemtic Name: 2-isoquinolin-2-ium-2-yl-3-[(3-methylphenyl)amino]-1-phenyl-3-sulfanylidene-prop-1-en-1-olate Openeye Name: 2-isoquinolin-2-ium-2-yl-3-(3-methylanilino)-1-phenyl-3-thioxo-prop-1-en-1-olate CAS Name: 2-(2-isoquinolin-2-iumyl)-3-(3-methylanilino)-1-phenyl-3-sulfanylidene-1-propen-1-olate IUPAC Name: 2-isoquinolin-2-ium-2-yl-3-(3-methylanilino)-1-phenyl-3-sulfanylideneprop-1-en-1-olate Traditional Name: 2-isoquinolin-2-ium-2-yl-3-(m-toluidino)-1-phenyl-3-thioxo-prop-1-en-1-olate Formula: C25H20N2OS MolecularWeight: 396.5041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)C(=C(C2=CC=CC=C2)[O-])[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)C(=C(C2=CC=CC=C2)[O-])[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H20N2OS/c1-18-8-7-13-22(16-18)26-25(29)23(24(28)20-10-3-2-4-11-20)27-15-14-19-9-5-6-12-21(19)17-27/h2-17H,1H3,(H-,26,28,29)