N-[2-(3,4-diethoxyphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3)OCC

InChI

InChI=1S/C21H26N4O3S2/c1-3-27-16-8-7-15(14-17(16)28-4-2)9-11-22-19(26)10-12-25-20(23-24-21(25)29)18-6-5-13-30-18/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,22,26)(H,24,29)