2-azanyl-4-(5-bromanylthiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-azanyl-4-(5-bromanylthiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-amino-4-(5-bromo-2-thienyl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(5-bromo-2-thiophenyl)-6-(3,4-dimethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(5-bromothiophen-2-yl)-6-(3,4-dimethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-amino-4-(5-bromo-2-thienyl)-6-(3,4-dimethoxyphenyl)nicotinonitrile Formula: C18H14BrN3O2S MolecularWeight: 416.29166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(S3)Br)C#N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(S3)Br)C#N)N)OC

InChI

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