3-[[(4-chlorophenyl)amino]methyl]-5-methylsulfanyl-1,2,4-triazol-4-amine

Systemtic Name: 3-[[(4-chlorophenyl)amino]methyl]-5-methylsulfanyl-1,2,4-triazol-4-amine Openeye Name: 3-[(4-chloroanilino)methyl]-5-methylsulfanyl-1,2,4-triazol-4-amine CAS Name: 3-[(4-chloroanilino)methyl]-5-(methylthio)-1,2,4-triazol-4-amine IUPAC Name: 3-[(4-chloroanilino)methyl]-5-methylsulfanyl-1,2,4-triazol-4-amine Traditional Name: [4-amino-5-(methylthio)-1,2,4-triazol-3-yl]methyl-(4-chlorophenyl)amine Formula: C10H12ClN5S MolecularWeight: 269.75378

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1N)CNC2=CC=C(C=C2)Cl

Isomeric SMILES

CSC1=NN=C(N1N)CNC2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H12ClN5S/c1-17-10-15-14-9(16(10)12)6-13-8-4-2-7(11)3-5-8/h2-5,13H,6,12H2,1H3