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

Systemtic Name: 2-azanyl-4-(4-bromanylthiophen-2-yl)-5-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-pyridine-3-carbonitrile Openeye Name: 2-amino-4-(4-bromo-2-thienyl)-5-(3,4-dimethoxyphenyl)-6-(2-thienyl)pyridine-3-carbonitrile CAS Name: 2-amino-4-(4-bromo-2-thiophenyl)-5-(3,4-dimethoxyphenyl)-6-thiophen-2-yl-3-pyridinecarbonitrile IUPAC Name: 2-amino-4-(4-bromothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-6-thiophen-2-ylpyridine-3-carbonitrile Traditional Name: 2-amino-4-(4-bromo-2-thienyl)-5-(3,4-dimethoxyphenyl)-6-(2-thienyl)nicotinonitrile Formula: C22H16BrN3O2S2 MolecularWeight: 498.41534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N=C(C(=C2C3=CC(=CS3)Br)C#N)N)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N=C(C(=C2C3=CC(=CS3)Br)C#N)N)C4=CC=CS4)OC

InChI

InChI=1S/C22H16BrN3O2S2/c1-27-15-6-5-12(8-16(15)28-2)19-20(18-9-13(23)11-30-18)14(10-24)22(25)26-21(19)17-4-3-7-29-17/h3-9,11H,1-2H3,(H2,25,26)