3-tert-butyl-4-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-tert-butyl-4-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-tert-butyl-4-[(Z)-(4-chloro-3-nitro-phenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-tert-butyl-4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-tert-butyl-4-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-tert-butyl-4-[(Z)-(4-chloro-3-nitro-benzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C13H14ClN5O2S MolecularWeight: 339.80056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=S)N1N=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NNC(=S)N1/N=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H14ClN5O2S/c1-13(2,3)11-16-17-12(22)18(11)15-7-8-4-5-9(14)10(6-8)19(20)21/h4-7H,1-3H3,(H,17,22)/b15-7-