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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-isopropoxypropyl)propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-propan-2-yloxypropyl)propanamide Traditional Name: N-(3-isopropoxypropyl)-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCCOC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCCCOC(C)C

InChI

InChI=1S/C19H28N4O3S/c1-4-25-16-8-6-15(7-9-16)18-21-22-19(27)23(18)12-10-17(24)20-11-5-13-26-14(2)3/h6-9,14H,4-5,10-13H2,1-3H3,(H,20,24)(H,22,27)