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

Systemtic Name: 2-chloranyl-N-[2-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoylamino]ethyl]benzamide Openeye Name: 2-chloro-N-[2-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]ethyl]benzamide CAS Name: 2-chloro-N-[2-[[1-oxo-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]amino]ethyl]benzamide IUPAC Name: 2-chloro-N-[2-[[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]amino]ethyl]benzamide Traditional Name: 2-chloro-N-[2-[[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]amino]ethyl]benzamide Formula: C17H16ClN5O2S2 MolecularWeight: 421.92424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCCNC(=O)CN2C(=NNC2=S)C3=CC=CS3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCCNC(=O)CN2C(=NNC2=S)C3=CC=CS3)Cl

InChI

InChI=1S/C17H16ClN5O2S2/c18-12-5-2-1-4-11(12)16(25)20-8-7-19-14(24)10-23-15(21-22-17(23)26)13-6-3-9-27-13/h1-6,9H,7-8,10H2,(H,19,24)(H,20,25)(H,22,26)