3-(2-cyclohexylethyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-(2-cyclohexylethyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(2-cyclohexylethyl)-4-[(Z)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(2-cyclohexylethyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(2-cyclohexylethyl)-4-[(Z)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-cyclohexylethyl)-4-[(Z)-(4-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C17H21N5O2S MolecularWeight: 359.44594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NNC(=S)N2N=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)CCC2=NNC(=S)N2/N=C\C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O2S/c23-22(24)15-9-6-14(7-10-15)12-18-21-16(19-20-17(21)25)11-8-13-4-2-1-3-5-13/h6-7,9-10,12-13H,1-5,8,11H2,(H,20,25)/b18-12-