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

Systemtic Name: (2S,4R)-2-azanyl-4-(4-chloranyl-2-nitro-phenyl)sulfanyl-4-(3-fluorophenyl)butan-1-ol Openeye Name: (2S,4R)-2-amino-4-(4-chloro-2-nitro-phenyl)sulfanyl-4-(3-fluorophenyl)butan-1-ol CAS Name: (2S,4R)-2-amino-4-[(4-chloro-2-nitrophenyl)thio]-4-(3-fluorophenyl)-1-butanol IUPAC Name: (2S,4R)-2-amino-4-(4-chloro-2-nitrophenyl)sulfanyl-4-(3-fluorophenyl)butan-1-ol Traditional Name: (2S,4R)-2-amino-4-[(4-chloro-2-nitro-phenyl)thio]-4-(3-fluorophenyl)butan-1-ol Formula: C16H16ClFN2O3S MolecularWeight: 370.826243

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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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClFN2O3S/c17-11-4-5-15(14(7-11)20(22)23)24-16(8-13(19)9-21)10-2-1-3-12(18)6-10/h1-7,13,16,21H,8-9,19H2/t13-,16+/m0/s1