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

Systemtic Name: 4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-(4-pyridyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-pyridin-4-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-(4-pyridyl)-1,2,4-triazole-3-thiolate Formula: C14H11N4S- MolecularWeight: 267.32894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2[S-])C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2[S-])C3=CC=NC=C3

InChI

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