3-azanyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-(4-methylphenyl)carbonyl-thieno[2,3-b]pyridine-5-carbonitrile

Systemtic Name: 3-azanyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-(4-methylphenyl)carbonyl-thieno[2,3-b]pyridine-5-carbonitrile Openeye Name: 3-amino-4-(3,4-dimethoxyphenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carbonitrile CAS Name: 3-amino-4-(3,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)-oxomethyl]-5-thieno[2,3-b]pyridinecarbonitrile IUPAC Name: 3-amino-4-(3,4-dimethoxyphenyl)-6-methyl-2-(4-methylbenzoyl)thieno[2,3-b]pyridine-5-carbonitrile Traditional Name: 3-amino-4-(3,4-dimethoxyphenyl)-6-methyl-2-p-toluoyl-thieno[2,3-b]pyridine-5-carbonitrile Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC(=C(C=C4)OC)OC)C#N)C)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C(=C3C4=CC(=C(C=C4)OC)OC)C#N)C)N

InChI

InChI=1S/C25H21N3O3S/c1-13-5-7-15(8-6-13)23(29)24-22(27)21-20(17(12-26)14(2)28-25(21)32-24)16-9-10-18(30-3)19(11-16)31-4/h5-11H,27H2,1-4H3