4-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCCCC(=O)C3=CC=CS3

InChI

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