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

Systemtic Name: 3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C12H12N6OS MolecularWeight: 288.32828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CSC3=NNC(=N3)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CSC3=NNC(=N3)N

InChI

InChI=1S/C12H12N6OS/c1-7-2-4-8(5-3-7)10-14-9(18-19-10)6-20-12-15-11(13)16-17-12/h2-5H,6H2,1H3,(H3,13,15,16,17)