N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-piperonyl-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N4O4S/c1-2-27-16-6-4-15(5-7-16)20-23-24-21(30)25(20)10-9-19(26)22-12-14-3-8-17-18(11-14)29-13-28-17/h3-8,11H,2,9-10,12-13H2,1H3,(H,22,26)(H,24,30)