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

Systemtic Name: 4-butyl-3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(2,3-dimethoxyphenyl)-4-thiazolyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(2,3-dimethoxyphenyl)thiazol-4-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S2/c1-4-5-9-22-17(23)20-21-18(22)27-11-12-10-26-16(19-12)13-7-6-8-14(24-2)15(13)25-3/h6-8,10H,4-5,9,11H2,1-3H3,(H,20,23)