(Z)-N-[2-[(4-methoxypyridin-2-yl)methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitro-ethenamine hydrate

Systemtic Name: (Z)-N-[2-[(4-methoxypyridin-2-yl)methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitro-ethenamine hydrate Openeye Name: (Z)-N-[2-[(4-methoxy-2-pyridyl)methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitro-ethenamine hydrate CAS Name: (Z)-N-[2-[(4-methoxy-2-pyridinyl)methylthio]ethyl]-1-(methylthio)-2-nitroethenamine hydrate IUPAC Name: (Z)-N-[2-[(4-methoxypyridin-2-yl)methylsulfanyl]ethyl]-1-methylsulfanyl-2-nitroethenamine hydrate Traditional Name: 2-[(4-methoxy-2-pyridyl)methylthio]ethyl-[(Z)-1-(methylthio)-2-nitro-vinyl]amine hydrate Formula: C12H19N3O4S2 MolecularWeight: 333.42696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC=C1)CSCCNC(=C[N+](=O)[O-])SC.O

Isomeric SMILES

COC1=CC(=NC=C1)CSCCN/C(=C/[N+](=O)[O-])/SC.O

InChI

InChI=1S/C12H17N3O3S2.H2O/c1-18-11-3-4-13-10(7-11)9-20-6-5-14-12(19-2)8-15(16)17;/h3-4,7-8,14H,5-6,9H2,1-2H3;1H2/b12-8-;