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

Systemtic Name: 3-(1-adamantyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(1-adamantyl)-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(1-adamantyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(1-adamantyl)-4-[(E)-(4-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(1-adamantyl)-4-[(E)-(4-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C19H21N5O2S MolecularWeight: 383.46734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4N=CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4/N=C/C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O2S/c25-24(26)16-3-1-12(2-4-16)11-20-23-17(21-22-18(23)27)19-8-13-5-14(9-19)7-15(6-13)10-19/h1-4,11,13-15H,5-10H2,(H,22,27)/b20-11+