1-[2-chloranyl-3-(4-nitrophenyl)sulfanyl-propyl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[2-chloranyl-3-(4-nitrophenyl)sulfanyl-propyl]sulfonyl-4-methyl-benzene Openeye Name: 1-[2-chloro-3-(4-nitrophenyl)sulfanyl-propyl]sulfonyl-4-methyl-benzene CAS Name: 1-[2-chloro-3-[(4-nitrophenyl)thio]propyl]sulfonyl-4-methylbenzene IUPAC Name: 1-[2-chloro-3-(4-nitrophenyl)sulfanylpropyl]sulfonyl-4-methylbenzene Traditional Name: 1-[2-chloro-3-[(4-nitrophenyl)thio]propyl]sulfonyl-4-methyl-benzene Formula: C16H16ClNO4S2 MolecularWeight: 385.88554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(CSC2=CC=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(CSC2=CC=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H16ClNO4S2/c1-12-2-8-16(9-3-12)24(21,22)11-13(17)10-23-15-6-4-14(5-7-15)18(19)20/h2-9,13H,10-11H2,1H3