[4-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]-3-methyl-phenyl] thiocyanate

Systemtic Name: [4-[[1,3-bis(oxidanylidene)-2-pyridin-2-yl-isoquinolin-4-ylidene]methylamino]-3-methyl-phenyl] thiocyanate Openeye Name: [4-[[1,3-dioxo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]-3-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[1,3-dioxo-2-(2-pyridinyl)-4-isoquinolinylidene]methylamino]-3-methylphenyl] ester IUPAC Name: [4-[(1,3-dioxo-2-pyridin-2-ylisoquinolin-4-ylidene)methylamino]-3-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[1,3-diketo-2-(2-pyridyl)-4-isoquinolylidene]methylamino]-3-methyl-phenyl] ester Formula: C23H16N4O2S MolecularWeight: 412.46374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=N4

InChI

InChI=1S/C23H16N4O2S/c1-15-12-16(30-14-24)9-10-20(15)26-13-19-17-6-2-3-7-18(17)22(28)27(23(19)29)21-8-4-5-11-25-21/h2-13,26H,1H3