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

Systemtic Name: 5-(4-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-nitrophenyl)-4-(phenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-(4-nitrophenyl)-1,2,4-triazole-3-thiolate Formula: C15H11N4O2S- MolecularWeight: 311.33844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2[S-])C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2[S-])C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O2S/c20-19(21)13-8-6-12(7-9-13)14-16-17-15(22)18(14)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,17,22)/p-1