5-(4-chlorophenyl)-4-ethyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-(4-chlorophenyl)-4-ethyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Openeye Name: 5-(4-chlorophenyl)-4-ethyl-2-[[2-(3-pyridyl)pyrrolidin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-(4-chlorophenyl)-4-ethyl-2-[[2-(3-pyridinyl)-1-pyrrolidinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-(4-chlorophenyl)-4-ethyl-2-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,2,4-triazole-3-thione Traditional Name: 5-(4-chlorophenyl)-4-ethyl-2-[[2-(3-pyridyl)pyrrolidino]methyl]-1,2,4-triazole-3-thione Formula: C20H22ClN5S MolecularWeight: 399.94018

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCCC2C3=CN=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCCC2C3=CN=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H22ClN5S/c1-2-25-19(15-7-9-17(21)10-8-15)23-26(20(25)27)14-24-12-4-6-18(24)16-5-3-11-22-13-16/h3,5,7-11,13,18H,2,4,6,12,14H2,1H3