4-ethyl-6-(4-nitrophenoxy)-2-(phenylmethylsulfanyl)pyrimidine

Systemtic Name: 4-ethyl-6-(4-nitrophenoxy)-2-(phenylmethylsulfanyl)pyrimidine Openeye Name: 2-benzylsulfanyl-4-ethyl-6-(4-nitrophenoxy)pyrimidine CAS Name: 4-ethyl-6-(4-nitrophenoxy)-2-(phenylmethylthio)pyrimidine IUPAC Name: 2-benzylsulfanyl-4-ethyl-6-(4-nitrophenoxy)pyrimidine Traditional Name: 2-(benzylthio)-4-ethyl-6-(4-nitrophenoxy)pyrimidine Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC=C2)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O3S/c1-2-15-12-18(25-17-10-8-16(9-11-17)22(23)24)21-19(20-15)26-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3