3-[2-azanyl-5-(methylamino)-4-nitro-phenyl]sulfanylpropan-1-ol

Systemtic Name: 3-[2-azanyl-5-(methylamino)-4-nitro-phenyl]sulfanylpropan-1-ol Openeye Name: 3-[2-amino-5-(methylamino)-4-nitro-phenyl]sulfanylpropan-1-ol CAS Name: 3-[[2-amino-5-(methylamino)-4-nitrophenyl]thio]-1-propanol IUPAC Name: 3-[2-amino-5-(methylamino)-4-nitrophenyl]sulfanylpropan-1-ol Traditional Name: 3-[[2-amino-5-(methylamino)-4-nitro-phenyl]thio]propan-1-ol Formula: C10H15N3O3S MolecularWeight: 257.3094

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C(=C1)SCCCO)N)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C(=C1)SCCCO)N)[N+](=O)[O-]

InChI

InChI=1S/C10H15N3O3S/c1-12-8-6-10(17-4-2-3-14)7(11)5-9(8)13(15)16/h5-6,12,14H,2-4,11H2,1H3