1-(4-butylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-butylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-butylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-butylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-butylphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-butylphenyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C18H19N3OS2/c1-2-3-5-13-7-9-14(10-8-13)15(22)12-24-18-19-17(20-21-18)16-6-4-11-23-16/h4,6-11H,2-3,5,12H2,1H3,(H,19,20,21)