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

Systemtic Name: 4-phenethyl-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-phenethyl-5-(3-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-phenethyl-5-(3-pyridinyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenethyl-5-pyridin-3-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-phenethyl-5-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

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