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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2S/c23-22(24)15-8-4-7-14(11-15)12-18-21-16(19-20-17(21)25)10-9-13-5-2-1-3-6-13/h4,7-8,11-13H,1-3,5-6,9-10H2,(H,20,25)/b18-12-