6,6-dimethyl-4-oxidanylidene-3-(pyridin-4-ylmethylamino)-5,7-dihydro-2-benzothiophene-1-carbonitrile

Systemtic Name: 6,6-dimethyl-4-oxidanylidene-3-(pyridin-4-ylmethylamino)-5,7-dihydro-2-benzothiophene-1-carbonitrile Openeye Name: 6,6-dimethyl-4-oxo-3-(4-pyridylmethylamino)-5,7-dihydro-2-benzothiophene-1-carbonitrile CAS Name: 6,6-dimethyl-4-oxo-3-(pyridin-4-ylmethylamino)-5,7-dihydro-2-benzothiophene-1-carbonitrile IUPAC Name: 6,6-dimethyl-4-oxo-3-(pyridin-4-ylmethylamino)-5,7-dihydro-2-benzothiophene-1-carbonitrile Traditional Name: 4-keto-6,6-dimethyl-3-(4-pyridylmethylamino)-5,7-dihydroisobenzothiophene-1-carbonitrile Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)NCC3=CC=NC=C3)C#N)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)NCC3=CC=NC=C3)C#N)C

InChI

InChI=1S/C17H17N3OS/c1-17(2)7-12-14(9-18)22-16(15(12)13(21)8-17)20-10-11-3-5-19-6-4-11/h3-6,20H,7-8,10H2,1-2H3