5-[(3-methoxycarbonylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate

Systemtic Name: 5-[(3-methoxycarbonylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate Openeye Name: 5-[(3-methoxycarbonylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate CAS Name: 5-[(3-methoxycarbonylphenyl)methylthio]-4-phenethyl-1,2,4-triazol-3-olate IUPAC Name: 5-[(3-methoxycarbonylphenyl)methylsulfanyl]-4-phenethyl-1,2,4-triazol-3-olate Traditional Name: 5-[(3-carbomethoxybenzyl)thio]-4-phenethyl-1,2,4-triazol-3-olate Formula: C19H18N3O3S- MolecularWeight: 368.42952

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2CCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C19H19N3O3S/c1-25-17(23)16-9-5-8-15(12-16)13-26-19-21-20-18(24)22(19)11-10-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,20,24)/p-1