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

Systemtic Name: N-(3-butoxypropyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-butoxypropyl)-3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-butoxypropyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-butoxypropyl)-3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-butoxypropyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCCNC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OCC

Isomeric SMILES

CCCCOCCCNC(=O)CCN1C(=NNC1=S)C2=CC=C(C=C2)OCC

InChI

InChI=1S/C20H30N4O3S/c1-3-5-14-26-15-6-12-21-18(25)11-13-24-19(22-23-20(24)28)16-7-9-17(10-8-16)27-4-2/h7-10H,3-6,11-15H2,1-2H3,(H,21,25)(H,23,28)