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

Systemtic Name: 3-[[7-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Openeye Name: 3-[[7-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol CAS Name: 3-[[7-[(6-methyl-1H-benzimidazol-2-yl)thio]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]-1-propanol IUPAC Name: 3-[[7-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]propan-1-ol Traditional Name: 3-[[7-[(6-methyl-1H-benzimidazol-2-yl)thio]-4-nitro-benzofurazan-5-yl]amino]propan-1-ol Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SC3=CC(=C(C4=NON=C34)[N+](=O)[O-])NCCCO

InChI

InChI=1S/C17H16N6O4S/c1-9-3-4-10-11(7-9)20-17(19-10)28-13-8-12(18-5-2-6-24)16(23(25)26)15-14(13)21-27-22-15/h3-4,7-8,18,24H,2,5-6H2,1H3,(H,19,20)