N-(4-methylphenyl)-3,5-bis(phenylmethylsulfanyl)-1,2-thiazole-4-carboxamide

Systemtic Name: N-(4-methylphenyl)-3,5-bis(phenylmethylsulfanyl)-1,2-thiazole-4-carboxamide Openeye Name: 3,5-bis(benzylsulfanyl)-N-(p-tolyl)isothiazole-4-carboxamide CAS Name: N-(4-methylphenyl)-3,5-bis(phenylmethylthio)-4-isothiazolecarboxamide IUPAC Name: 3,5-bis(benzylsulfanyl)-N-(4-methylphenyl)-1,2-thiazole-4-carboxamide Traditional Name: 3,5-bis(benzylthio)-N-(p-tolyl)isothiazole-4-carboxamide Formula: C25H22N2OS3 MolecularWeight: 462.64998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(SN=C2SCC3=CC=CC=C3)SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(SN=C2SCC3=CC=CC=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2OS3/c1-18-12-14-21(15-13-18)26-23(28)22-24(29-16-19-8-4-2-5-9-19)27-31-25(22)30-17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,26,28)