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

Systemtic Name: N-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Openeye Name: N-(4-chlorophenyl)-3-[(5-methylisoxazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine CAS Name: N-(4-chlorophenyl)-3-[(5-methyl-3-isoxazolyl)methylthio]-1H-1,2,4-triazol-5-amine IUPAC Name: N-(4-chlorophenyl)-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine Traditional Name: (4-chlorophenyl)-[3-[(5-methylisoxazol-3-yl)methylthio]-1H-1,2,4-triazol-5-yl]amine Formula: C13H12ClN5OS MolecularWeight: 321.78528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=NNC(=N2)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NO1)CSC2=NNC(=N2)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H12ClN5OS/c1-8-6-11(19-20-8)7-21-13-16-12(17-18-13)15-10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H2,15,16,17,18)