N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-methyl-N-[(2-morpholinophenyl)methyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-methyl-N-[[2-(4-morpholinyl)phenyl]methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-methyl-N-(2-morpholinobenzyl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H25N5O2S2 MolecularWeight: 443.5855

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCOCC2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCOCC2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C21H25N5O2S2/c1-24(15-16-5-2-3-6-17(16)25-10-12-28-13-11-25)19(27)8-9-26-20(22-23-21(26)29)18-7-4-14-30-18/h2-7,14H,8-13,15H2,1H3,(H,23,29)