2-[[2-(4-chloranylphenoxy)ethyl-methyl-amino]methyl]-4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[2-(4-chloranylphenoxy)ethyl-methyl-amino]methyl]-4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazole-3-thione CAS Name: 2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[2-(4-chlorophenoxy)ethyl-methyl-amino]methyl]-4-cyclopropyl-5-piperidino-1,2,4-triazole-3-thione Formula: C20H28ClN5OS MolecularWeight: 421.98722

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)Cl)CN2C(=S)N(C(=N2)N3CCCCC3)C4CC4

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)Cl)CN2C(=S)N(C(=N2)N3CCCCC3)C4CC4

InChI

InChI=1S/C20H28ClN5OS/c1-23(13-14-27-18-9-5-16(21)6-10-18)15-25-20(28)26(17-7-8-17)19(22-25)24-11-3-2-4-12-24/h5-6,9-10,17H,2-4,7-8,11-15H2,1H3