2-[4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-2-imidazolyl]thio]-N-phenylacetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)imidazol-2-yl]sulfanyl-N-phenylacetamide Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-1-(p-tolyl)imidazol-2-yl]thio]-N-phenyl-acetamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(N=C2SCC(=O)NC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(N=C2SCC(=O)NC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O3S/c1-17-7-10-20(11-8-17)28-14-21(18-9-12-22-23(13-18)31-16-30-22)27-25(28)32-15-24(29)26-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3,(H,26,29)