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

Systemtic Name: 4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-ethyl-5-[(phenylthio)methyl]-1,2,4-triazole-3-thiolate Formula: C11H12N3S2- MolecularWeight: 250.36308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1[S-])CSC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1[S-])CSC2=CC=CC=C2

InChI

InChI=1S/C11H13N3S2/c1-2-14-10(12-13-11(14)15)8-16-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,13,15)/p-1