2-[[2-(phenylmethyl)pyrrolidin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[2-(phenylmethyl)pyrrolidin-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[(2-benzylpyrrolidin-1-yl)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[2-(phenylmethyl)-1-pyrrolidinyl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[(2-benzylpyrrolidin-1-yl)methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[(2-benzylpyrrolidino)methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H27N5S MolecularWeight: 393.54828

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN2CCCC2CC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)CN2CCCC2CC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H27N5S/c1-2-14-26-21(19-10-12-23-13-11-19)24-27(22(26)28)17-25-15-6-9-20(25)16-18-7-4-3-5-8-18/h3-5,7-8,10-13,20H,2,6,9,14-17H2,1H3