4-phenyl-3-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-phenyl-3-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-phenyl-3-(3-pyridylmethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-phenyl-3-(3-pyridinylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-phenyl-3-(pyridin-3-ylmethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-phenyl-3-(3-pyridylmethyl)-1H-1,2,4-triazole-5-thione Formula: C14H12N4S MolecularWeight: 268.33688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)CC3=CN=CC=C3

InChI

InChI=1S/C14H12N4S/c19-14-17-16-13(9-11-5-4-8-15-10-11)18(14)12-6-2-1-3-7-12/h1-8,10H,9H2,(H,17,19)