2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide Openeye Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-N-cyclopropylpropanamide IUPAC Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide Traditional Name: N-cyclopropyl-2-[(5-phenyl-4-piperonyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=NN=C(N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3S/c1-14(21(27)23-17-8-9-17)30-22-25-24-20(16-5-3-2-4-6-16)26(22)12-15-7-10-18-19(11-15)29-13-28-18/h2-7,10-11,14,17H,8-9,12-13H2,1H3,(H,23,27)