5-(4-methylphenyl)sulfanyl-N-phenyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-(4-methylphenyl)sulfanyl-N-phenyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-N-phenyl-5-(p-tolylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-[(4-methylphenyl)thio]-N-phenyl-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-(4-methylphenyl)sulfanyl-N-phenylpyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-N-phenyl-5-(p-tolylthio)pyrimidine-4-carboxamide Formula: C25H21N3OS2 MolecularWeight: 443.58374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN=C(N=C2C(=O)NC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3OS2/c1-18-12-14-21(15-13-18)31-22-16-26-25(30-17-19-8-4-2-5-9-19)28-23(22)24(29)27-20-10-6-3-7-11-20/h2-16H,17H2,1H3,(H,27,29)