2-nitro-1-(phenylmethylsulfanyl)-4-propan-2-yl-benzene

Systemtic Name: 2-nitro-1-(phenylmethylsulfanyl)-4-propan-2-yl-benzene Openeye Name: 1-benzylsulfanyl-4-isopropyl-2-nitro-benzene CAS Name: 2-nitro-1-(phenylmethylthio)-4-propan-2-ylbenzene IUPAC Name: 1-benzylsulfanyl-2-nitro-4-propan-2-ylbenzene Traditional Name: 1-(benzylthio)-4-isopropyl-2-nitro-benzene Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)SCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO2S/c1-12(2)14-8-9-16(15(10-14)17(18)19)20-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3