2-azanyl-4-[3-bromanyl-4-(dimethylamino)phenyl]-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-[3-bromanyl-4-(dimethylamino)phenyl]-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-phenylsulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-(phenylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-[3-bromo-4-(dimethylamino)phenyl]-6-(phenylthio)dinicotinonitrile Formula: C21H16BrN5S MolecularWeight: 450.35424

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3)N)C#N)Br

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3)N)C#N)Br

InChI

InChI=1S/C21H16BrN5S/c1-27(2)18-9-8-13(10-17(18)22)19-15(11-23)20(25)26-21(16(19)12-24)28-14-6-4-3-5-7-14/h3-10H,1-2H3,(H2,25,26)