N-(4-phenoxybutyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-(4-phenoxybutyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-(4-phenoxybutyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(4-phenoxybutyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-(4-phenoxybutyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(4-phenoxybutyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)OCCCCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C19H22N4O2S2/c24-17(20-11-4-5-13-25-15-7-2-1-3-8-15)10-12-23-18(21-22-19(23)26)16-9-6-14-27-16/h1-3,6-9,14H,4-5,10-13H2,(H,20,24)(H,22,26)