4,6-bis[(4-ethoxyphenyl)methylsulfanyl]-5-nitro-pyrimidine

Systemtic Name: 4,6-bis[(4-ethoxyphenyl)methylsulfanyl]-5-nitro-pyrimidine Openeye Name: 4,6-bis[(4-ethoxyphenyl)methylsulfanyl]-5-nitro-pyrimidine CAS Name: 4,6-bis[(4-ethoxyphenyl)methylthio]-5-nitropyrimidine IUPAC Name: 4,6-bis[(4-ethoxyphenyl)methylsulfanyl]-5-nitropyrimidine Traditional Name: 4,6-bis[(4-ethoxybenzyl)thio]-5-nitro-pyrimidine Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4S2/c1-3-28-18-9-5-16(6-10-18)13-30-21-20(25(26)27)22(24-15-23-21)31-14-17-7-11-19(12-8-17)29-4-2/h5-12,15H,3-4,13-14H2,1-2H3