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

Systemtic Name: 3-(4-chloranyl-1-ethyl-pyrazol-3-yl)-4-[1-(phenylmethyl)pyrazol-4-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(1-benzylpyrazol-4-yl)-3-(4-chloro-1-ethyl-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-chloro-1-ethyl-3-pyrazolyl)-4-[1-(phenylmethyl)-4-pyrazolyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(1-benzylpyrazol-4-yl)-3-(4-chloro-1-ethylpyrazol-3-yl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(1-benzylpyrazol-4-yl)-3-(4-chloro-1-ethyl-pyrazol-3-yl)-1H-1,2,4-triazole-5-thione Formula: C17H16ClN7S MolecularWeight: 385.87384

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C2=NNC(=S)N2C3=CN(N=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C17H16ClN7S/c1-2-23-11-14(18)15(22-23)16-20-21-17(26)25(16)13-8-19-24(10-13)9-12-6-4-3-5-7-12/h3-8,10-11H,2,9H2,1H3,(H,21,26)