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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-prop-2-ynyl-propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-prop-2-ynyl-propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-prop-2-ynylpropanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-prop-2-ynylpropanamide Traditional Name: 3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)-N-propargyl-propionamide Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O2S/c1-3-10-17-14(21)9-11-20-15(18-19-16(20)23)12-5-7-13(8-6-12)22-4-2/h1,5-8H,4,9-11H2,2H3,(H,17,21)(H,19,23)