4-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-[(Z)-(4-methylsulfanylphenyl)methyleneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[(Z)-[4-(methylthio)phenyl]methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-[(Z)-[4-(methylthio)benzylidene]amino]-5-(phenoxymethyl)-1,2,4-triazole-3-thiolate Formula: C17H15N4OS2- MolecularWeight: 355.4572

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=NN2C(=NN=C2[S-])COC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=N\N2C(=NN=C2[S-])COC3=CC=CC=C3

InChI

InChI=1S/C17H16N4OS2/c1-24-15-9-7-13(8-10-15)11-18-21-16(19-20-17(21)23)12-22-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,20,23)/p-1/b18-11-