2-[(3-methylphenyl)methylsulfanyl]-N-(phenylmethyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 2-[(3-methylphenyl)methylsulfanyl]-N-(phenylmethyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide Openeye Name: N-benzyl-2-(m-tolylmethylsulfanyl)-5-phenylsulfanyl-pyrimidine-4-carboxamide CAS Name: 2-[(3-methylphenyl)methylthio]-N-(phenylmethyl)-5-(phenylthio)-4-pyrimidinecarboxamide IUPAC Name: N-benzyl-2-[(3-methylphenyl)methylsulfanyl]-5-phenylsulfanylpyrimidine-4-carboxamide Traditional Name: N-benzyl-2-[(3-methylbenzyl)thio]-5-(phenylthio)pyrimidine-4-carboxamide Formula: C26H23N3OS2 MolecularWeight: 457.61032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NCC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC=C(C(=N2)C(=O)NCC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H23N3OS2/c1-19-9-8-12-21(15-19)18-31-26-28-17-23(32-22-13-6-3-7-14-22)24(29-26)25(30)27-16-20-10-4-2-5-11-20/h2-15,17H,16,18H2,1H3,(H,27,30)