2-chloranyl-1-(3-nitropropyl)-4-(3-phenylmethoxyphenyl)sulfanyl-benzene

Systemtic Name: 2-chloranyl-1-(3-nitropropyl)-4-(3-phenylmethoxyphenyl)sulfanyl-benzene Openeye Name: 4-(3-benzyloxyphenyl)sulfanyl-2-chloro-1-(3-nitropropyl)benzene CAS Name: 2-chloro-1-(3-nitropropyl)-4-[(3-phenylmethoxyphenyl)thio]benzene IUPAC Name: 2-chloro-1-(3-nitropropyl)-4-(3-phenylmethoxyphenyl)sulfanylbenzene Traditional Name: 4-[(3-benzoxyphenyl)thio]-2-chloro-1-(3-nitropropyl)benzene Formula: C22H20ClNO3S MolecularWeight: 413.9171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC[N+](=O)[O-])Cl

InChI

InChI=1S/C22H20ClNO3S/c23-22-15-21(12-11-18(22)8-5-13-24(25)26)28-20-10-4-9-19(14-20)27-16-17-6-2-1-3-7-17/h1-4,6-7,9-12,14-15H,5,8,13,16H2