3-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-nitrophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-nitrophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-nitrophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-nitrophenyl)methylthio]-2,4-dihydro-1H-1,3,5-triazine IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-[(4-nitrophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine Traditional Name: 3-homoveratryl-6-[(4-nitrobenzyl)thio]-2,4-dihydro-1H-s-triazine Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CNC(=NC2)SCC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CNC(=NC2)SCC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H24N4O4S/c1-27-18-8-5-15(11-19(18)28-2)9-10-23-13-21-20(22-14-23)29-12-16-3-6-17(7-4-16)24(25)26/h3-8,11H,9-10,12-14H2,1-2H3,(H,21,22)