N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[[2-(isopropoxymethyl)phenyl]methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[2-(isopropoxymethyl)benzyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=CC=C1CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC(C)OCC1=CC=CC=C1CNC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C20H24N4O2S2/c1-14(2)26-13-16-7-4-3-6-15(16)12-21-18(25)9-10-24-19(22-23-20(24)27)17-8-5-11-28-17/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,21,25)(H,23,27)