3-methoxy-2-[(5Z)-7-[(3-methoxypyridin-2-yl)methylsulfanyl]-5-(nitromethylidene)heptyl]pyridine

Systemtic Name: 3-methoxy-2-[(5Z)-7-[(3-methoxypyridin-2-yl)methylsulfanyl]-5-(nitromethylidene)heptyl]pyridine Openeye Name: 3-methoxy-2-[(5Z)-7-[(3-methoxy-2-pyridyl)methylsulfanyl]-5-(nitromethylene)heptyl]pyridine CAS Name: 3-methoxy-2-[(5Z)-7-[(3-methoxy-2-pyridinyl)methylthio]-5-(nitromethylidene)heptyl]pyridine IUPAC Name: 3-methoxy-2-[(5Z)-7-[(3-methoxypyridin-2-yl)methylsulfanyl]-5-(nitromethylidene)heptyl]pyridine Traditional Name: 3-methoxy-2-[(Z)-5-[2-[(3-methoxy-2-pyridyl)methylthio]ethyl]-6-nitro-hex-5-enyl]pyridine Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(N=CC=C1)CCCCC(=C[N+](=O)[O-])CCSCC2=C(C=CC=N2)OC

Isomeric SMILES

COC1=C(N=CC=C1)CCCC/C(=C/[N+](=O)[O-])/CCSCC2=C(C=CC=N2)OC

InChI

InChI=1S/C21H27N3O4S/c1-27-20-9-5-12-22-18(20)8-4-3-7-17(15-24(25)26)11-14-29-16-19-21(28-2)10-6-13-23-19/h5-6,9-10,12-13,15H,3-4,7-8,11,14,16H2,1-2H3/b17-15-