1-(4-methylphenyl)sulfanyl-1-nitro-4-phenyl-butan-2-ol

Systemtic Name: 1-(4-methylphenyl)sulfanyl-1-nitro-4-phenyl-butan-2-ol Openeye Name: 1-nitro-4-phenyl-1-(p-tolylsulfanyl)butan-2-ol CAS Name: 1-[(4-methylphenyl)thio]-1-nitro-4-phenyl-2-butanol IUPAC Name: 1-(4-methylphenyl)sulfanyl-1-nitro-4-phenylbutan-2-ol Traditional Name: 1-nitro-4-phenyl-1-(p-tolylthio)butan-2-ol Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C(CCC2=CC=CC=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC(C(CCC2=CC=CC=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C17H19NO3S/c1-13-7-10-15(11-8-13)22-17(18(20)21)16(19)12-9-14-5-3-2-4-6-14/h2-8,10-11,16-17,19H,9,12H2,1H3