2-azanyl-6-(phenylmethylsulfanyl)-4-quinolin-4-yl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(phenylmethylsulfanyl)-4-quinolin-4-yl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-(4-quinolyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-(phenylmethylthio)-4-(4-quinolinyl)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-quinolin-4-ylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-(4-quinolyl)dinicotinonitrile Formula: C23H15N5S MolecularWeight: 393.4637

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=NC4=CC=CC=C34)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=NC4=CC=CC=C34)C#N

InChI

InChI=1S/C23H15N5S/c24-12-18-21(17-10-11-27-20-9-5-4-8-16(17)20)19(13-25)23(28-22(18)26)29-14-15-6-2-1-3-7-15/h1-11H,14H2,(H2,26,28)