4-[(Z)-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[(Z)-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Openeye Name: 4-[(Z)-[4-(4-tert-butylphenoxy)-3-nitro-phenyl]methyleneamino]-1H-1,2,4-triazole-5-thione CAS Name: 4-[(Z)-[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylideneamino]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[(Z)-[4-(4-tert-butylphenoxy)-3-nitrophenyl]methylideneamino]-1H-1,2,4-triazole-5-thione Traditional Name: 4-[(Z)-[4-(4-tert-butylphenoxy)-3-nitro-benzylidene]amino]-1H-1,2,4-triazole-5-thione Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)C=NN3C=NNC3=S)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(C=C(C=C2)/C=N\N3C=NNC3=S)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O3S/c1-19(2,3)14-5-7-15(8-6-14)27-17-9-4-13(10-16(17)24(25)26)11-21-23-12-20-22-18(23)28/h4-12H,1-3H3,(H,22,28)/b21-11-