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

Systemtic Name: 2-methyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]furan-3-carboxylate Openeye Name: 2-methyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-3-furancarboxylate IUPAC Name: 2-methyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[(1-phenyltetrazol-5-yl)thio]methyl]-3-furoate Formula: C14H11N4O3S- MolecularWeight: 315.32714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=NN2C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=NN2C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C14H12N4O3S/c1-9-12(13(19)20)7-11(21-9)8-22-14-15-16-17-18(14)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,19,20)/p-1