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

Systemtic Name: 4-butyl-3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-(3,4-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=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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