2-azanyl-4-cyclohex-3-en-1-yl-6-phenacylsulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-cyclohex-3-en-1-yl-6-phenacylsulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-cyclohex-3-en-1-yl-6-phenacylsulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(1-cyclohex-3-enyl)-6-(phenacylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-cyclohex-3-en-1-yl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-cyclohex-3-en-1-yl-6-(phenacylthio)dinicotinonitrile Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

C1CC(CC=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C21H18N4OS/c22-11-16-19(15-9-5-2-6-10-15)17(12-23)21(25-20(16)24)27-13-18(26)14-7-3-1-4-8-14/h1-5,7-8,15H,6,9-10,13H2,(H2,24,25)