4-(4-butylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(4-butylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-(4-butylphenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(4-butylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-(4-butylphenyl)-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-(4-butylphenyl)-5-(4-pyridyl)-1,2,4-triazole-3-thiolate Formula: C17H17N4S- MolecularWeight: 309.40868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=NC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CC=NC=C3

InChI

InChI=1S/C17H18N4S/c1-2-3-4-13-5-7-15(8-6-13)21-16(19-20-17(21)22)14-9-11-18-12-10-14/h5-12H,2-4H2,1H3,(H,20,22)/p-1