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

Systemtic Name: 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NNC(=O)N3CCC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NNC(=O)N3CCC4=CC=CC=C4)OC

InChI

InChI=1S/C22H22N4O3S2/c1-28-18-9-8-16(12-19(18)29-2)20-23-17(13-30-20)14-31-22-25-24-21(27)26(22)11-10-15-6-4-3-5-7-15/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,27)