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

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-ethanamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide CAS Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclopentylacetamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentylacetamide Traditional Name: 2-[[5-(1,3-benzodioxol-5-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclopentyl-acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O3S/c27-20(23-16-6-4-5-7-16)13-30-22-25-24-21(26(22)17-8-2-1-3-9-17)15-10-11-18-19(12-15)29-14-28-18/h1-3,8-12,16H,4-7,13-14H2,(H,23,27)