4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)benzenecarbonitrile

Systemtic Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)benzenecarbonitrile Openeye Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)benzonitrile CAS Name: 4-[4,6-dimethyl-3-(1-pyrrolyl)-2-thieno[2,3-b]pyridinyl]benzonitrile IUPAC Name: 4-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)benzonitrile Traditional Name: 4-(4,6-dimethyl-3-pyrrol-1-yl-thieno[2,3-b]pyridin-2-yl)benzonitrile Formula: C20H15N3S MolecularWeight: 329.4182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C3=CC=C(C=C3)C#N)N4C=CC=C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C3=CC=C(C=C3)C#N)N4C=CC=C4)C

InChI

InChI=1S/C20H15N3S/c1-13-11-14(2)22-20-17(13)18(23-9-3-4-10-23)19(24-20)16-7-5-15(12-21)6-8-16/h3-11H,1-2H3