3-azanyl-6,6-dimethyl-8-oxidanylidene-2-(phenylcarbonyl)-1-sulfanylidene-5,7-dihydroisoquinoline-4-carbonitrile

Systemtic Name: 3-azanyl-6,6-dimethyl-8-oxidanylidene-2-(phenylcarbonyl)-1-sulfanylidene-5,7-dihydroisoquinoline-4-carbonitrile Openeye Name: 3-amino-2-benzoyl-6,6-dimethyl-8-oxo-1-thioxo-5,7-dihydroisoquinoline-4-carbonitrile CAS Name: 3-amino-2-benzoyl-6,6-dimethyl-8-oxo-1-sulfanylidene-5,7-dihydroisoquinoline-4-carbonitrile IUPAC Name: 3-amino-2-benzoyl-6,6-dimethyl-8-oxo-1-sulfanylidene-5,7-dihydroisoquinoline-4-carbonitrile Traditional Name: 3-amino-2-benzoyl-8-keto-6,6-dimethyl-1-thioxo-5,7-dihydroisoquinoline-4-carbonitrile Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)C(=S)N(C(=C2C#N)N)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)C(=S)N(C(=C2C#N)N)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C19H17N3O2S/c1-19(2)8-12-13(10-20)16(21)22(18(25)15(12)14(23)9-19)17(24)11-6-4-3-5-7-11/h3-7H,8-9,21H2,1-2H3