5-(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)-4-(phenylmethyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)-4-(phenylmethyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-benzyl-5-(4-chloro-2,5-dimethyl-pyrazol-3-yl)-1,2,4-triazole-3-thiolate CAS Name: 5-(4-chloro-2,5-dimethyl-3-pyrazolyl)-4-(phenylmethyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-benzyl-5-(4-chloro-2,5-dimethylpyrazol-3-yl)-1,2,4-triazole-3-thiolate Traditional Name: 4-benzyl-5-(4-chloro-2,5-dimethyl-pyrazol-3-yl)-1,2,4-triazole-3-thiolate Formula: C14H13ClN5S- MolecularWeight: 318.80452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C2=NN=C(N2CC3=CC=CC=C3)[S-])C

Isomeric SMILES

CC1=NN(C(=C1Cl)C2=NN=C(N2CC3=CC=CC=C3)[S-])C

InChI

InChI=1S/C14H14ClN5S/c1-9-11(15)12(19(2)18-9)13-16-17-14(21)20(13)8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,17,21)/p-1