3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[2-(4-isopropylphenyl)thiazol-4-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-propan-2-ylphenyl)-4-thiazolyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(2-p-cumenylthiazol-4-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C18H22N4OS2 MolecularWeight: 374.52348

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CSC(=N2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CSC(=N2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C18H22N4OS2/c1-4-9-22-17(23)20-21-18(22)25-11-15-10-24-16(19-15)14-7-5-13(6-8-14)12(2)3/h5-8,10,12H,4,9,11H2,1-3H3,(H,20,23)