1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine

Systemtic Name: 1-[4-(5-chloranyl-2-methyl-phenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine Openeye Name: 1-[5-benzylsulfanyl-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethanamine CAS Name: 1-[4-(5-chloro-2-methylphenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-2-phenylethanamine IUPAC Name: 1-[5-benzylsulfanyl-4-(5-chloro-2-methylphenyl)-1,2,4-triazol-3-yl]-2-phenylethanamine Traditional Name: [1-[5-(benzylthio)-4-(5-chloro-2-methyl-phenyl)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]amine Formula: C24H23ClN4S MolecularWeight: 434.98422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(CC4=CC=CC=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=NN=C2SCC3=CC=CC=C3)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C24H23ClN4S/c1-17-12-13-20(25)15-22(17)29-23(21(26)14-18-8-4-2-5-9-18)27-28-24(29)30-16-19-10-6-3-7-11-19/h2-13,15,21H,14,16,26H2,1H3