(2S)-2-[(6-methyl-5-nitro-pyridin-2-yl)amino]-3-(phenylmethylsulfanyl)propan-1-ol

Systemtic Name: (2S)-2-[(6-methyl-5-nitro-pyridin-2-yl)amino]-3-(phenylmethylsulfanyl)propan-1-ol Openeye Name: (2S)-3-benzylsulfanyl-2-[(6-methyl-5-nitro-2-pyridyl)amino]propan-1-ol CAS Name: (2S)-2-[(6-methyl-5-nitro-2-pyridinyl)amino]-3-(phenylmethylthio)-1-propanol IUPAC Name: (2S)-3-benzylsulfanyl-2-[(6-methyl-5-nitropyridin-2-yl)amino]propan-1-ol Traditional Name: (2S)-3-(benzylthio)-2-[(6-methyl-5-nitro-2-pyridyl)amino]propan-1-ol Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)NC(CO)CSCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=N1)N[C@@H](CO)CSCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O3S/c1-12-15(19(21)22)7-8-16(17-12)18-14(9-20)11-23-10-13-5-3-2-4-6-13/h2-8,14,20H,9-11H2,1H3,(H,17,18)/t14-/m0/s1