4-phenethyl-5-pyridin-4-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenethyl-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-phenethyl-5-(4-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-phenethyl-5-pyridin-4-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenethyl-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-phenethyl-5-(4-pyridyl)-1,2,4-triazole-3-thiolate Formula: C15H13N4S- MolecularWeight: 281.35552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2[S-])C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2[S-])C3=CC=NC=C3

InChI

InChI=1S/C15H14N4S/c20-15-18-17-14(13-6-9-16-10-7-13)19(15)11-8-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H,18,20)/p-1