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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)SC3=NN=C(N3C4=CC=CC=C4)C5CC5

InChI

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