2-[2,5-dimethyl-4-(2-nitrophenyl)sulfanyl-piperazin-1-yl]ethanol

Systemtic Name: 2-[2,5-dimethyl-4-(2-nitrophenyl)sulfanyl-piperazin-1-yl]ethanol Openeye Name: 2-[2,5-dimethyl-4-(2-nitrophenyl)sulfanyl-piperazin-1-yl]ethanol CAS Name: 2-[2,5-dimethyl-4-[(2-nitrophenyl)thio]-1-piperazinyl]ethanol IUPAC Name: 2-[2,5-dimethyl-4-(2-nitrophenyl)sulfanylpiperazin-1-yl]ethanol Traditional Name: 2-[2,5-dimethyl-4-[(2-nitrophenyl)thio]piperazino]ethanol Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1SC2=CC=CC=C2[N+](=O)[O-])C)CCO

Isomeric SMILES

CC1CN(C(CN1SC2=CC=CC=C2[N+](=O)[O-])C)CCO

InChI

InChI=1S/C14H21N3O3S/c1-11-10-16(12(2)9-15(11)7-8-18)21-14-6-4-3-5-13(14)17(19)20/h3-6,11-12,18H,7-10H2,1-2H3