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

Systemtic Name: 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[2-(3,4-dimethoxyphenyl)thiazol-4-yl]methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C14H15N5O2S2 MolecularWeight: 349.4312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NNC(=N3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CSC3=NNC(=N3)N)OC

InChI

InChI=1S/C14H15N5O2S2/c1-20-10-4-3-8(5-11(10)21-2)12-16-9(6-22-12)7-23-14-17-13(15)18-19-14/h3-6H,7H2,1-2H3,(H3,15,17,18,19)