4-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[(1-butyl-5-chloro-3-methyl-4-pyrazolyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(1-butyl-5-chloro-3-methylpyrazol-4-yl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(1-butyl-5-chloro-3-methyl-pyrazol-4-yl)methyleneamino]-3-p-phenetyl-1H-1,2,4-triazole-5-thione Formula: C19H23ClN6OS MolecularWeight: 418.94352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C=NN2C(=NNC2=S)C3=CC=C(C=C3)OCC)Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C=NN2C(=NNC2=S)C3=CC=C(C=C3)OCC)Cl

InChI

InChI=1S/C19H23ClN6OS/c1-4-6-11-25-17(20)16(13(3)24-25)12-21-26-18(22-23-19(26)28)14-7-9-15(10-8-14)27-5-2/h7-10,12H,4-6,11H2,1-3H3,(H,23,28)