4-(phenylmethyl)-5-pyridin-4-yl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(phenylmethyl)-5-pyridin-4-yl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-5-(4-pyridyl)-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione CAS Name: 4-(phenylmethyl)-5-pyridin-4-yl-2-(1-pyrrolidinylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-5-pyridin-4-yl-2-(pyrrolidin-1-ylmethyl)-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-(4-pyridyl)-2-(pyrrolidinomethyl)-1,2,4-triazole-3-thione Formula: C19H21N5S MolecularWeight: 351.46854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N5S/c25-19-23(14-16-6-2-1-3-7-16)18(17-8-10-20-11-9-17)21-24(19)15-22-12-4-5-13-22/h1-3,6-11H,4-5,12-15H2