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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-homopiperonyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C18H18N4O3S2/c23-16(19-7-5-12-3-4-13-14(10-12)25-11-24-13)6-8-22-17(20-21-18(22)26)15-2-1-9-27-15/h1-4,9-10H,5-8,11H2,(H,19,23)(H,21,26)