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

Systemtic Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(furan-2-ylmethyl)-N-methyl-propanamide Openeye Name: 3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(2-furylmethyl)-N-methyl-propanamide CAS Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(2-furanylmethyl)-N-methylpropanamide IUPAC Name: 3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(furan-2-ylmethyl)-N-methylpropanamide Traditional Name: N-(2-furfuryl)-N-methyl-3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propionamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=CO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)N(C)CC3=CC=CO3

InChI

InChI=1S/C19H22N4O3S/c1-3-25-15-8-6-14(7-9-15)18-20-21-19(27)23(18)11-10-17(24)22(2)13-16-5-4-12-26-16/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,27)