2-azanyl-4-(4-bromanylthiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-6-(3,4-dimethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-6-(3,4-dimethoxyphenyl)nicotinonitrile Formula: C18H14BrN3O2S MolecularWeight: 416.29166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=CS3)Br)C#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=CS3)Br)C#N)N)OC

InChI

InChI=1S/C18H14BrN3O2S/c1-23-15-4-3-10(5-16(15)24-2)14-7-12(13(8-20)18(21)22-14)17-6-11(19)9-25-17/h3-7,9H,1-2H3,(H2,21,22)