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

Systemtic Name: 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: 3-[[5-(3-chlorophenyl)oxazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: 3-[[5-(3-chlorophenyl)-2-oxazolyl]methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: [3-[[5-(3-chlorophenyl)oxazol-2-yl]methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C12H10ClN5OS MolecularWeight: 307.7587

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CN=C(O2)CSC3=NNC(=N3)N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CN=C(O2)CSC3=NNC(=N3)N

InChI

InChI=1S/C12H10ClN5OS/c13-8-3-1-2-7(4-8)9-5-15-10(19-9)6-20-12-16-11(14)17-18-12/h1-5H,6H2,(H3,14,16,17,18)