4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-phenyl-5-[(phenylthio)methyl]-1,2,4-triazole-3-thiolate Formula: C15H12N3S2- MolecularWeight: 298.40588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2[S-])CSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2[S-])CSC3=CC=CC=C3

InChI

InChI=1S/C15H13N3S2/c19-15-17-16-14(11-20-13-9-5-2-6-10-13)18(15)12-7-3-1-4-8-12/h1-10H,11H2,(H,17,19)/p-1