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

Systemtic Name: 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[[2-(p-tolyl)oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[2-(4-methylphenyl)-4-oxazolyl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[2-(p-tolyl)oxazol-4-yl]methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NNC(=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NNC(=N3)N

InChI

InChI=1S/C13H13N5OS/c1-8-2-4-9(5-3-8)11-15-10(6-19-11)7-20-13-16-12(14)17-18-13/h2-6H,7H2,1H3,(H3,14,16,17,18)