N-[2-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]ethyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O2S2/c24-15(19-9-10-20-17(25)13-5-2-1-3-6-13)8-11-23-16(21-22-18(23)26)14-7-4-12-27-14/h1-7,12H,8-11H2,(H,19,24)(H,20,25)(H,22,26)