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

Systemtic Name: 3-[4-(diethylamino)phenyl]-4-[(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[4-(diethylamino)phenyl]-4-[(3-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-[4-(diethylamino)phenyl]-4-[(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[4-(diethylamino)phenyl]-4-[(3-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[4-(diethylamino)phenyl]-4-[(3-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C19H20N6O2S MolecularWeight: 396.4661

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O2S/c1-3-23(4-2)16-10-8-15(9-11-16)18-21-22-19(28)24(18)20-13-14-6-5-7-17(12-14)25(26)27/h5-13H,3-4H2,1-2H3,(H,22,28)