1-[[4-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]-4-propan-2-ylsulfanyl-pyridin-1-ium

Systemtic Name: 1-[[4-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]-4-propan-2-ylsulfanyl-pyridin-1-ium Openeye Name: 1-[(4-isopropylsulfanylpyridin-1-ium-1-yl)methoxymethyl]-4-(nitrosomethylene)pyridine CAS Name: 1-[[4-(nitrosomethylidene)-1-pyridinyl]methoxymethyl]-4-(propan-2-ylthio)pyridin-1-ium IUPAC Name: 1-[[4-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]-4-propan-2-ylsulfanylpyridin-1-ium Traditional Name: 1-[[4-(isopropylthio)pyridin-1-ium-1-yl]methoxymethyl]-4-(nitrosomethylene)pyridine Formula: C16H20N3O2S+ MolecularWeight: 318.4139

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=[N+](C=C1)COCN2C=CC(=CN=O)C=C2

Isomeric SMILES

CC(C)SC1=CC=[N+](C=C1)COCN2C=CC(=CN=O)C=C2

InChI

InChI=1S/C16H20N3O2S/c1-14(2)22-16-5-9-19(10-6-16)13-21-12-18-7-3-15(4-8-18)11-17-20/h3-11,14H,12-13H2,1-2H3/q+1