2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide

Systemtic Name: 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamide Openeye Name: 2-[[5-(3-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide CAS Name: 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide IUPAC Name: 2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Traditional Name: 2-[[5-(3-chlorophenyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide Formula: C25H21ClN4O3S MolecularWeight: 492.97724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H21ClN4O3S/c1-16-5-8-20(9-6-16)30-24(17-3-2-4-18(26)13-17)28-29-25(30)34-15-23(31)27-19-7-10-21-22(14-19)33-12-11-32-21/h2-10,13-14H,11-12,15H2,1H3,(H,27,31)