1-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one

Systemtic Name: 1-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 1-(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 1-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 1-(4-butyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 1-(4-butyl-5-thioxo-1H-1,2,4-triazol-3-yl)-3-(methylthio)-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C15H19N3OS3 MolecularWeight: 353.52586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=C3CCCC(=O)C3=C(S2)SC

Isomeric SMILES

CCCCN1C(=NNC1=S)C2=C3CCCC(=O)C3=C(S2)SC

InChI

InChI=1S/C15H19N3OS3/c1-3-4-8-18-13(16-17-15(18)20)12-9-6-5-7-10(19)11(9)14(21-2)22-12/h3-8H2,1-2H3,(H,17,20)