3-methyl-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 3-methyl-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: 3-methyl-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-methyl-5-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylate IUPAC Name: 3-methyl-5-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-methyl-5-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-furoate Formula: C16H14N3O3S- MolecularWeight: 328.36566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)CSC2=NN=C(N2C)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(OC(=C1)CSC2=NN=C(N2C)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C16H15N3O3S/c1-10-8-12(22-13(10)15(20)21)9-23-16-18-17-14(19(16)2)11-6-4-3-5-7-11/h3-8H,9H2,1-2H3,(H,20,21)/p-1