1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methoxy]-2,3-dimethyl-benzene

Systemtic Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methoxy]-2,3-dimethyl-benzene Openeye Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methoxy]-2,3-dimethyl-benzene CAS Name: 1-[[4-[(4-chlorophenyl)thio]-3-nitrophenyl]methoxy]-2,3-dimethylbenzene IUPAC Name: 1-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methoxy]-2,3-dimethylbenzene Traditional Name: 1-[4-[(4-chlorophenyl)thio]-3-nitro-benzyl]oxy-2,3-dimethyl-benzene Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H18ClNO3S/c1-14-4-3-5-20(15(14)2)26-13-16-6-11-21(19(12-16)23(24)25)27-18-9-7-17(22)8-10-18/h3-12H,13H2,1-2H3