2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[(1R,3S)-3-azanyl-4-oxidanyl-1-phenyl-butyl]sulfanyl-5-nitro-benzenecarbonitrile Openeye Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]sulfanyl-5-nitro-benzonitrile CAS Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[(1R,3S)-3-amino-4-hydroxy-1-phenylbutyl]sulfanyl-5-nitrobenzonitrile Traditional Name: 2-[[(1R,3S)-3-amino-4-hydroxy-1-phenyl-butyl]thio]-5-nitro-benzonitrile Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c18-10-13-8-15(20(22)23)6-7-16(13)24-17(9-14(19)11-21)12-4-2-1-3-5-12/h1-8,14,17,21H,9,11,19H2/t14-,17+/m0/s1