4-azanyl-6-[(E)-2-(2-chlorophenyl)ethenyl]-8,8-dimethyl-2-oxidanylidene-1,7-dihydro-[1]benzothiolo[2,3-b]pyridine-3-carbonitrile

Systemtic Name: 4-azanyl-6-[(E)-2-(2-chlorophenyl)ethenyl]-8,8-dimethyl-2-oxidanylidene-1,7-dihydro-[1]benzothiolo[2,3-b]pyridine-3-carbonitrile Openeye Name: 4-amino-6-[(E)-2-(2-chlorophenyl)vinyl]-8,8-dimethyl-2-oxo-1,7-dihydrobenzothiopheno[2,3-b]pyridine-3-carbonitrile CAS Name: 4-amino-6-[(E)-2-(2-chlorophenyl)ethenyl]-8,8-dimethyl-2-oxo-1,7-dihydro-[1]benzothiolo[2,3-b]pyridine-3-carbonitrile IUPAC Name: 4-amino-6-[(E)-2-(2-chlorophenyl)ethenyl]-8,8-dimethyl-2-oxo-1,7-dihydro-[1]benzothiolo[2,3-b]pyridine-3-carbonitrile Traditional Name: 4-amino-6-[(E)-2-(2-chlorophenyl)vinyl]-2-keto-8,8-dimethyl-1,7-dihydrobenzothiopheno[2,3-b]pyridine-3-carbonitrile Formula: C22H18ClN3OS MolecularWeight: 407.91582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC2=C1SC3=C2C(=C(C(=O)N3)C#N)N)C=CC4=CC=CC=C4Cl)C

Isomeric SMILES

CC1(CC(=CC2=C1SC3=C2C(=C(C(=O)N3)C#N)N)/C=C/C4=CC=CC=C4Cl)C

InChI

InChI=1S/C22H18ClN3OS/c1-22(2)10-12(7-8-13-5-3-4-6-16(13)23)9-14-17-18(25)15(11-24)20(27)26-21(17)28-19(14)22/h3-9H,10H2,1-2H3,(H3,25,26,27)/b8-7+