2-methyl-1-oxidanylidene-4-phenyl-6-thiophen-2-yl-isoquinoline-3-carbonitrile

Systemtic Name: 2-methyl-1-oxidanylidene-4-phenyl-6-thiophen-2-yl-isoquinoline-3-carbonitrile Openeye Name: 2-methyl-1-oxo-4-phenyl-6-(2-thienyl)isoquinoline-3-carbonitrile CAS Name: 2-methyl-1-oxo-4-phenyl-6-thiophen-2-yl-3-isoquinolinecarbonitrile IUPAC Name: 2-methyl-1-oxo-4-phenyl-6-thiophen-2-ylisoquinoline-3-carbonitrile Traditional Name: 1-keto-2-methyl-4-phenyl-6-(2-thienyl)isoquinoline-3-carbonitrile Formula: C21H14N2OS MolecularWeight: 342.41366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=CC=CS3)C4=CC=CC=C4)C#N

Isomeric SMILES

CN1C(=C(C2=C(C1=O)C=CC(=C2)C3=CC=CS3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H14N2OS/c1-23-18(13-22)20(14-6-3-2-4-7-14)17-12-15(19-8-5-11-25-19)9-10-16(17)21(23)24/h2-12H,1H3