(Z,3S)-4-methyl-1-(4-methylphenyl)sulfanyl-1-nitro-pent-1-en-3-ol

Systemtic Name: (Z,3S)-4-methyl-1-(4-methylphenyl)sulfanyl-1-nitro-pent-1-en-3-ol Openeye Name: (Z,3S)-4-methyl-1-nitro-1-(p-tolylsulfanyl)pent-1-en-3-ol CAS Name: (Z,3S)-4-methyl-1-[(4-methylphenyl)thio]-1-nitro-1-penten-3-ol IUPAC Name: (Z,3S)-4-methyl-1-(4-methylphenyl)sulfanyl-1-nitropent-1-en-3-ol Traditional Name: (Z,3S)-4-methyl-1-nitro-1-(p-tolylthio)pent-1-en-3-ol Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S/C(=C\[C@H](C(C)C)O)/[N+](=O)[O-]

InChI

InChI=1S/C13H17NO3S/c1-9(2)12(15)8-13(14(16)17)18-11-6-4-10(3)5-7-11/h4-9,12,15H,1-3H3/b13-8-/t12-/m1/s1