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

Systemtic Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine Openeye Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-(p-tolylmethyl)-1,2,4-triazol-3-amine CAS Name: 5-[(2-chlorophenyl)methylthio]-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine IUPAC Name: 5-[(2-chlorophenyl)methylsulfanyl]-4-[(4-methylphenyl)methyl]-1,2,4-triazol-3-amine Traditional Name: [5-[(2-chlorobenzyl)thio]-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]amine Formula: C17H17ClN4S MolecularWeight: 344.86168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3Cl)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=NN=C2SCC3=CC=CC=C3Cl)N

InChI

InChI=1S/C17H17ClN4S/c1-12-6-8-13(9-7-12)10-22-16(19)20-21-17(22)23-11-14-4-2-3-5-15(14)18/h2-9H,10-11H2,1H3,(H2,19,20)