(2S,4R)-2-azanyl-4-(5-azanyl-4-chloranyl-2-nitro-phenyl)sulfanyl-4-(3-fluorophenyl)butan-1-ol

Systemtic Name: (2S,4R)-2-azanyl-4-(5-azanyl-4-chloranyl-2-nitro-phenyl)sulfanyl-4-(3-fluorophenyl)butan-1-ol Openeye Name: (2S,4R)-2-amino-4-(5-amino-4-chloro-2-nitro-phenyl)sulfanyl-4-(3-fluorophenyl)butan-1-ol CAS Name: (2S,4R)-2-amino-4-[(5-amino-4-chloro-2-nitrophenyl)thio]-4-(3-fluorophenyl)-1-butanol IUPAC Name: (2S,4R)-2-amino-4-(5-amino-4-chloro-2-nitrophenyl)sulfanyl-4-(3-fluorophenyl)butan-1-ol Traditional Name: (2S,4R)-2-amino-4-[(5-amino-4-chloro-2-nitro-phenyl)thio]-4-(3-fluorophenyl)butan-1-ol Formula: C16H17ClFN3O3S MolecularWeight: 385.840883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClFN3O3S/c17-12-6-14(21(23)24)16(7-13(12)20)25-15(5-11(19)8-22)9-2-1-3-10(18)4-9/h1-4,6-7,11,15,22H,5,8,19-20H2/t11-,15+/m0/s1