3-[[4-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-1,3-thiazol-2-yl]amino]phenol

Systemtic Name: 3-[[4-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)-1,3-thiazol-2-yl]amino]phenol Openeye Name: 3-[[4-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)thiazol-2-yl]amino]phenol CAS Name: 3-[[4-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-2-thiazolyl]amino]phenol IUPAC Name: 3-[[4-(4-tert-butyl-2,6-dimethyl-3,5-dinitrophenyl)-1,3-thiazol-2-yl]amino]phenol Traditional Name: 3-[[4-(4-tert-butyl-2,6-dimethyl-3,5-dinitro-phenyl)thiazol-2-yl]amino]phenol Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C2=CSC(=N2)NC3=CC(=CC=C3)O

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)C2=CSC(=N2)NC3=CC(=CC=C3)O

InChI

InChI=1S/C21H22N4O5S/c1-11-16(15-10-31-20(23-15)22-13-7-6-8-14(26)9-13)12(2)19(25(29)30)17(21(3,4)5)18(11)24(27)28/h6-10,26H,1-5H3,(H,22,23)