2-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(5-chloranyl-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-2-[[(5-chloro-2-methoxy-phenyl)methyl-methyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-4-methyl-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-2-[[(5-chloro-2-methoxy-benzyl)-methyl-amino]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C20H23ClN4OS MolecularWeight: 402.94082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CC2=C(C=CC(=C2)Cl)OC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CC2=C(C=CC(=C2)Cl)OC)CC3=CC=CC=C3

InChI

InChI=1S/C20H23ClN4OS/c1-23(13-16-12-17(21)9-10-18(16)26-3)14-25-20(27)24(2)19(22-25)11-15-7-5-4-6-8-15/h4-10,12H,11,13-14H2,1-3H3