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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-N-piperonyl-acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N4O3S/c26-19(22-11-14-6-9-17-18(10-14)28-13-27-17)12-29-21-24-23-20(15-7-8-15)25(21)16-4-2-1-3-5-16/h1-6,9-10,15H,7-8,11-13H2,(H,22,26)