1-(azepan-1-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-(azepan-1-yl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-(1-azepanyl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-(azepan-1-yl)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C14H18N4OS2 MolecularWeight: 322.44892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C14H18N4OS2/c19-12(17-7-3-1-2-4-8-17)10-18-13(15-16-14(18)20)11-6-5-9-21-11/h5-6,9H,1-4,7-8,10H2,(H,16,20)