4-butyl-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[2-(4-ethylphenyl)thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(4-ethylphenyl)-4-thiazolyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(4-ethylphenyl)thiazol-4-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C18H22N4OS2 MolecularWeight: 374.52348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CSC(=N2)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CSC(=N2)C3=CC=C(C=C3)CC

InChI

InChI=1S/C18H22N4OS2/c1-3-5-10-22-17(23)20-21-18(22)25-12-15-11-24-16(19-15)14-8-6-13(4-2)7-9-14/h6-9,11H,3-5,10,12H2,1-2H3,(H,20,23)