2-azanyl-6-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-propyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-4-propyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-propylpyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-4-propylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-4-propyl-dinicotinonitrile Formula: C18H15N5O3S MolecularWeight: 381.4084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)C#N

Isomeric SMILES

CCCC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C18H15N5O3S/c1-2-3-13-14(8-19)17(21)22-18(15(13)9-20)27-10-16(24)11-4-6-12(7-5-11)23(25)26/h4-7H,2-3,10H2,1H3,(H2,21,22)