5-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(4-chloro-1-methyl-pyrazol-3-yl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chloro-1-methyl-3-pyrazolyl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(4-chloro-1-methylpyrazol-3-yl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(4-chloro-1-methyl-pyrazol-3-yl)-4-(3-ethoxypropyl)-1,2,4-triazole-3-thiolate Formula: C11H15ClN5OS- MolecularWeight: 300.7877

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=NN=C1[S-])C2=NN(C=C2Cl)C

Isomeric SMILES

CCOCCCN1C(=NN=C1[S-])C2=NN(C=C2Cl)C

InChI

InChI=1S/C11H16ClN5OS/c1-3-18-6-4-5-17-10(13-14-11(17)19)9-8(12)7-16(2)15-9/h7H,3-6H2,1-2H3,(H,14,19)/p-1