6-hexylsulfanyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 6-hexylsulfanyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 6-hexylsulfanyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 6-(hexylthio)-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-hexylsulfanyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 6-(hexylthio)-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCCCSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H21N3O3S/c1-2-3-4-5-9-25-18-16(12-19)15(11-17(22)20-18)13-7-6-8-14(10-13)21(23)24/h6-8,10,15H,2-5,9,11H2,1H3,(H,20,22)