N-(4-ethoxyphenyl)-2-(phenylmethylsulfanyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(4-ethoxyphenyl)-2-(phenylmethylsulfanyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-N-(4-ethoxyphenyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: N-(4-ethoxyphenyl)-2-(phenylmethylthio)-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(4-ethoxyphenyl)-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-(phenylthio)-N-p-phenetyl-pyrimidine-4-carboxamide Formula: C26H23N3O2S2 MolecularWeight: 473.60972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2SC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O2S2/c1-2-31-21-15-13-20(14-16-21)28-25(30)24-23(33-22-11-7-4-8-12-22)17-27-26(29-24)32-18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3,(H,28,30)