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

Systemtic Name: 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[3-(o-tolyl)-1,2,4-oxadiazol-5-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=CC=C1C2=NOC(=N2)CSC3=NNC(=N3)N

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)CSC3=NNC(=N3)N

InChI

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