2-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[(3-chlorophenyl)methyl-methyl-amino]methyl]-5-cyclopropyl-1,2,4-triazole-3-thione CAS Name: 2-[[(3-chlorophenyl)methyl-methylamino]methyl]-5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[(3-chlorophenyl)methyl-methylamino]methyl]-5-cyclopropyl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-2-[[(3-chlorobenzyl)-methyl-amino]methyl]-5-cyclopropyl-1,2,4-triazole-3-thione Formula: C21H23ClN4S MolecularWeight: 398.95212

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)Cl)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC(=CC=C1)Cl)CN2C(=S)N(C(=N2)C3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23ClN4S/c1-24(13-17-8-5-9-19(22)12-17)15-26-21(27)25(20(23-26)18-10-11-18)14-16-6-3-2-4-7-16/h2-9,12,18H,10-11,13-15H2,1H3