(2R)-2-azanyl-4-[4-(4-azanyl-2-nitro-phenyl)sulfanylphenyl]butan-1-ol

Systemtic Name: (2R)-2-azanyl-4-[4-(4-azanyl-2-nitro-phenyl)sulfanylphenyl]butan-1-ol Openeye Name: (2R)-2-amino-4-[4-(4-amino-2-nitro-phenyl)sulfanylphenyl]butan-1-ol CAS Name: (2R)-2-amino-4-[4-[(4-amino-2-nitrophenyl)thio]phenyl]-1-butanol IUPAC Name: (2R)-2-amino-4-[4-(4-amino-2-nitrophenyl)sulfanylphenyl]butan-1-ol Traditional Name: (2R)-2-amino-4-[4-[(4-amino-2-nitro-phenyl)thio]phenyl]butan-1-ol Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CO)N)SC2=C(C=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC[C@H](CO)N)SC2=C(C=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c17-12-5-8-16(15(9-12)19(21)22)23-14-6-2-11(3-7-14)1-4-13(18)10-20/h2-3,5-9,13,20H,1,4,10,17-18H2/t13-/m1/s1