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

Systemtic Name: 3-(4-tert-butylphenyl)-4-[(E)-(2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(4-tert-butylphenyl)-4-[(E)-(2-nitrophenyl)methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 3-(4-tert-butylphenyl)-4-[(E)-(2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(4-tert-butylphenyl)-4-[(E)-(2-nitrophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 3-(4-tert-butylphenyl)-4-[(E)-(2-nitrobenzylidene)amino]-1H-1,2,4-triazole-5-thione Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O2S/c1-19(2,3)15-10-8-13(9-11-15)17-21-22-18(27)23(17)20-12-14-6-4-5-7-16(14)24(25)26/h4-12H,1-3H3,(H,22,27)/b20-12+