1-chloranyl-2-nitro-4-[(phenylmethylsulfanyl)methyl]benzene

Systemtic Name: 1-chloranyl-2-nitro-4-[(phenylmethylsulfanyl)methyl]benzene Openeye Name: 4-(benzylsulfanylmethyl)-1-chloro-2-nitro-benzene CAS Name: 1-chloro-2-nitro-4-[(phenylmethylthio)methyl]benzene IUPAC Name: 4-(benzylsulfanylmethyl)-1-chloro-2-nitrobenzene Traditional Name: 4-[(benzylthio)methyl]-1-chloro-2-nitro-benzene Formula: C14H12ClNO2S MolecularWeight: 293.76858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H12ClNO2S/c15-13-7-6-12(8-14(13)16(17)18)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2