3-azanyl-2-(4-chlorophenyl)carbonyl-4-(2-methylpropyl)-6-phenyl-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3-azanyl-2-(4-chlorophenyl)carbonyl-4-(2-methylpropyl)-6-phenyl-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3-amino-2-(4-chlorobenzoyl)-4-isobutyl-6-phenyl-thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3-amino-2-[(4-chlorophenyl)-oxomethyl]-4-(2-methylpropyl)-6-phenyl-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 3-amino-2-(4-chlorobenzoyl)-4-(2-methylpropyl)-6-phenylthieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3-amino-2-(4-chlorobenzoyl)-4-isobutyl-6-phenyl-thieno[2,3-b]pyridine-5-carbonitrile Formula: C25H20ClN3OS MolecularWeight: 445.9638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NC2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C4=CC=CC=C4)C#N

Isomeric SMILES

CC(C)CC1=C(C(=NC2=C1C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H20ClN3OS/c1-14(2)12-18-19(13-27)22(15-6-4-3-5-7-15)29-25-20(18)21(28)24(31-25)23(30)16-8-10-17(26)11-9-16/h3-11,14H,12,28H2,1-2H3