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

Systemtic Name: 1-(azepan-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C15H20N4OS2 MolecularWeight: 336.4755

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C15H20N4OS2/c20-13(18-8-3-1-2-4-9-18)7-10-19-14(16-17-15(19)21)12-6-5-11-22-12/h5-6,11H,1-4,7-10H2,(H,17,21)