4-(4,4-dimethyl-1-oxidanylidene-3H-isoquinolin-2-yl)thiophene-2-carbonitrile

Systemtic Name: 4-(4,4-dimethyl-1-oxidanylidene-3H-isoquinolin-2-yl)thiophene-2-carbonitrile Openeye Name: 4-(4,4-dimethyl-1-oxo-3H-isoquinolin-2-yl)thiophene-2-carbonitrile CAS Name: 4-(4,4-dimethyl-1-oxo-3H-isoquinolin-2-yl)-2-thiophenecarbonitrile IUPAC Name: 4-(4,4-dimethyl-1-oxo-3H-isoquinolin-2-yl)thiophene-2-carbonitrile Traditional Name: 4-(1-keto-4,4-dimethyl-3H-isoquinolin-2-yl)thiophene-2-carbonitrile Formula: C16H14N2OS MolecularWeight: 282.36016

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C2=CC=CC=C21)C3=CSC(=C3)C#N)C

Isomeric SMILES

CC1(CN(C(=O)C2=CC=CC=C21)C3=CSC(=C3)C#N)C

InChI

InChI=1S/C16H14N2OS/c1-16(2)10-18(11-7-12(8-17)20-9-11)15(19)13-5-3-4-6-14(13)16/h3-7,9H,10H2,1-2H3