5-(1,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(1,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(1,5-dimethylpyrazol-3-yl)-4-(2-furylmethyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(1,5-dimethyl-3-pyrazolyl)-4-(2-furanylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(1,5-dimethylpyrazol-3-yl)-4-(furan-2-ylmethyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(1,5-dimethylpyrazol-3-yl)-4-(2-furfuryl)-1,2,4-triazole-3-thiolate Formula: C12H12N5OS- MolecularWeight: 274.32158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C2=NN=C(N2CC3=CC=CO3)[S-]

Isomeric SMILES

CC1=CC(=NN1C)C2=NN=C(N2CC3=CC=CO3)[S-]

InChI

InChI=1S/C12H13N5OS/c1-8-6-10(15-16(8)2)11-13-14-12(19)17(11)7-9-4-3-5-18-9/h3-6H,7H2,1-2H3,(H,14,19)/p-1