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

Systemtic Name: 4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]benzamide Openeye Name: 4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]amino]benzamide IUPAC Name: 4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoylamino]benzamide Traditional Name: 4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]benzamide Formula: C16H15N5O2S2 MolecularWeight: 373.4526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=S)N2CCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C16H15N5O2S2/c17-14(23)10-3-5-11(6-4-10)18-13(22)7-8-21-15(19-20-16(21)24)12-2-1-9-25-12/h1-6,9H,7-8H2,(H2,17,23)(H,18,22)(H,20,24)