6-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)thieno[2,3-b]pyridin-3-amine; methanenitrile

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)thieno[2,3-b]pyridin-3-amine; methanenitrile Openeye Name: 6-(1,3-benzodioxol-5-yl)-2-(p-tolyl)thieno[2,3-b]pyridin-3-amine; formonitrile CAS Name: 6-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)-3-thieno[2,3-b]pyridinamine; formonitrile IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2-(4-methylphenyl)thieno[2,3-b]pyridin-3-amine; formonitrile Traditional Name: [6-(1,3-benzodioxol-5-yl)-2-(p-tolyl)thieno[2,3-b]pyridin-3-yl]amine; hydrogen cyanide Formula: C22H17N3O2S MolecularWeight: 387.45428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3=C(S2)N=C(C=C3)C4=CC5=C(C=C4)OCO5)N.C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C3=C(S2)N=C(C=C3)C4=CC5=C(C=C4)OCO5)N.C#N

InChI

InChI=1S/C21H16N2O2S.CHN/c1-12-2-4-13(5-3-12)20-19(22)15-7-8-16(23-21(15)26-20)14-6-9-17-18(10-14)25-11-24-17;1-2/h2-10H,11,22H2,1H3;1H