4-[[methyl-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]amino]methyl]benzamide

Systemtic Name: 4-[[methyl-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]amino]methyl]benzamide Openeye Name: 4-[[methyl-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]amino]methyl]benzamide CAS Name: 4-[[methyl-[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]methyl]benzamide IUPAC Name: 4-[[methyl-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]amino]methyl]benzamide Traditional Name: 4-[[methyl-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]amino]methyl]benzamide Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S2/c1-22(11-12-4-6-13(7-5-12)16(19)25)15(24)8-9-23-17(20-21-18(23)26)14-3-2-10-27-14/h2-7,10H,8-9,11H2,1H3,(H2,19,25)(H,21,26)