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

Systemtic Name: 1-(4-butyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Openeye Name: 1-(4-butyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one CAS Name: 1-[4-butyl-5-(methylthio)-1,2,4-triazol-3-yl]-3-(methylthio)-6,7-dihydro-5H-2-benzothiophen-4-one IUPAC Name: 1-(4-butyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one Traditional Name: 1-[4-butyl-5-(methylthio)-1,2,4-triazol-3-yl]-3-(methylthio)-6,7-dihydro-5H-isobenzothiophen-4-one Formula: C16H21N3OS3 MolecularWeight: 367.55244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC)C2=C3CCCC(=O)C3=C(S2)SC

Isomeric SMILES

CCCCN1C(=NN=C1SC)C2=C3CCCC(=O)C3=C(S2)SC

InChI

InChI=1S/C16H21N3OS3/c1-4-5-9-19-14(17-18-16(19)22-3)13-10-7-6-8-11(20)12(10)15(21-2)23-13/h4-9H2,1-3H3