3-[[7-(2-tert-butyl-6-methyl-phenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol

Systemtic Name: 3-[[7-(2-tert-butyl-6-methyl-phenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-(2-tert-butyl-6-methyl-phenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-[(2-tert-butyl-6-methylphenyl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-(2-tert-butyl-6-methylphenyl)sulfanyl-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-[(2-tert-butyl-6-methyl-phenyl)thio]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)(C)C)SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)(C)C)SC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C20H24N4O4S/c1-12-7-5-8-13(20(2,3)4)19(12)29-15-11-14(21-9-6-10-25)18(24(26)27)17-16(15)22-28-23-17/h5,7-8,11,21,25H,6,9-10H2,1-4H3