5-[(2-ethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-olate

Systemtic Name: 5-[(2-ethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-olate Openeye Name: 5-[(2-ethylphenyl)methylsulfanyl]-4-(2-furylmethyl)-1,2,4-triazol-3-olate CAS Name: 5-[(2-ethylphenyl)methylthio]-4-(2-furanylmethyl)-1,2,4-triazol-3-olate IUPAC Name: 5-[(2-ethylphenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-olate Traditional Name: 5-[(2-ethylbenzyl)thio]-4-(2-furfuryl)-1,2,4-triazol-3-olate Formula: C16H16N3O2S- MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CSC2=NN=C(N2CC3=CC=CO3)[O-]

Isomeric SMILES

CCC1=CC=CC=C1CSC2=NN=C(N2CC3=CC=CO3)[O-]

InChI

InChI=1S/C16H17N3O2S/c1-2-12-6-3-4-7-13(12)11-22-16-18-17-15(20)19(16)10-14-8-5-9-21-14/h3-9H,2,10-11H2,1H3,(H,17,20)/p-1