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

Systemtic Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(4-tert-butylphenoxy)ethyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H26N4O2S2 MolecularWeight: 430.58674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S2/c1-21(2,3)15-6-8-16(9-7-15)27-13-11-22-18(26)10-12-25-19(23-24-20(25)28)17-5-4-14-29-17/h4-9,14H,10-13H2,1-3H3,(H,22,26)(H,24,28)