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

Systemtic Name: N-(3-butoxypropyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-butoxypropyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-(3-butoxypropyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-butoxypropyl)-3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide Traditional Name: N-(3-butoxypropyl)-3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H28N4O2S MolecularWeight: 376.51622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2S/c1-3-4-12-25-13-6-10-20-17(24)9-11-23-18(21-22-19(23)26)16-8-5-7-15(2)14-16/h5,7-8,14H,3-4,6,9-13H2,1-2H3,(H,20,24)(H,22,26)