3-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione Formula: C15H16ClN5S MolecularWeight: 333.83904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=NNC(=S)N2CC3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CC2=NNC(=S)N2CC3=CC=CC=C3)C)Cl

InChI

InChI=1S/C15H16ClN5S/c1-10-14(16)11(2)21(19-10)9-13-17-18-15(22)20(13)8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H,18,22)