2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(3-chlorophenyl)methyl]-1-piperazinyl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-chlorobenzyl)piperazino]methyl]-4-cyclopropyl-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C21H24ClN5S2 MolecularWeight: 446.03176

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)CN3CCN(CC3)CC4=CC(=CC=C4)Cl)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN(C2=S)CN3CCN(CC3)CC4=CC(=CC=C4)Cl)C5=CC=CS5

InChI

InChI=1S/C21H24ClN5S2/c22-17-4-1-3-16(13-17)14-24-8-10-25(11-9-24)15-26-21(28)27(18-6-7-18)20(23-26)19-5-2-12-29-19/h1-5,12-13,18H,6-11,14-15H2