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

Systemtic Name: 5-nitro-4,6-bis[(4-propoxyphenyl)methylsulfanyl]pyrimidine Openeye Name: 5-nitro-4,6-bis[(4-propoxyphenyl)methylsulfanyl]pyrimidine CAS Name: 5-nitro-4,6-bis[(4-propoxyphenyl)methylthio]pyrimidine IUPAC Name: 5-nitro-4,6-bis[(4-propoxyphenyl)methylsulfanyl]pyrimidine Traditional Name: 5-nitro-4,6-bis[(4-propoxybenzyl)thio]pyrimidine Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)OCCC)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=C(C=C1)CSC2=C(C(=NC=N2)SCC3=CC=C(C=C3)OCCC)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O4S2/c1-3-13-30-20-9-5-18(6-10-20)15-32-23-22(27(28)29)24(26-17-25-23)33-16-19-7-11-21(12-8-19)31-14-4-2/h5-12,17H,3-4,13-16H2,1-2H3