4-[3-[(phenylmethyl)azaniumyl]propyl]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[3-[(phenylmethyl)azaniumyl]propyl]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[3-(benzylammonio)propyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[3-[(phenylmethyl)ammonio]propyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[3-(benzylazaniumyl)propyl]-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[3-(benzylammonio)propyl]-5-(3-pyridyl)-1,2,4-triazole-3-thiolate Formula: C17H19N5S MolecularWeight: 325.43126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH2+]CCCN2C(=NN=C2[S-])C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[NH2+]CCCN2C(=NN=C2[S-])C3=CN=CC=C3

InChI

InChI=1S/C17H19N5S/c23-17-21-20-16(15-8-4-9-19-13-15)22(17)11-5-10-18-12-14-6-2-1-3-7-14/h1-4,6-9,13,18H,5,10-12H2,(H,21,23)