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

Systemtic Name: 3-tert-butyl-4-[(E)-[5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-tert-butyl-4-[(E)-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazol-4-yl]methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-tert-butyl-4-[(E)-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-tert-butyl-4-[(E)-[5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-tert-butyl-4-[(E)-[5-chloro-1-(4-fluorobenzyl)-3-methyl-pyrazol-4-yl]methyleneamino]-1H-1,2,4-triazole-5-thione Formula: C18H20ClFN6S MolecularWeight: 406.908003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NN2C(=NNC2=S)C(C)(C)C)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1/C=N/N2C(=NNC2=S)C(C)(C)C)Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C18H20ClFN6S/c1-11-14(9-21-26-16(18(2,3)4)22-23-17(26)27)15(19)25(24-11)10-12-5-7-13(20)8-6-12/h5-9H,10H2,1-4H3,(H,23,27)/b21-9+