N-[2-(2,6-dimethylphenoxy)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(2,6-dimethylphenoxy)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C19H22N4O2S2 MolecularWeight: 402.53358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C19H22N4O2S2/c1-13-5-3-6-14(2)17(13)25-11-9-20-16(24)8-10-23-18(21-22-19(23)26)15-7-4-12-27-15/h3-7,12H,8-11H2,1-2H3,(H,20,24)(H,22,26)