1-chloranyl-4-[2-(3-isocyanatophenyl)sulfanylethyl]benzene

Systemtic Name: 1-chloranyl-4-[2-(3-isocyanatophenyl)sulfanylethyl]benzene Openeye Name: 1-chloro-4-[2-(3-isocyanatophenyl)sulfanylethyl]benzene CAS Name: 1-chloro-4-[2-[(3-isocyanatophenyl)thio]ethyl]benzene IUPAC Name: 1-chloro-4-[2-(3-isocyanatophenyl)sulfanylethyl]benzene Traditional Name: 1-chloro-4-[2-[(3-isocyanatophenyl)thio]ethyl]benzene Formula: C15H12ClNOS MolecularWeight: 289.77988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCCC2=CC=C(C=C2)Cl)N=C=O

Isomeric SMILES

C1=CC(=CC(=C1)SCCC2=CC=C(C=C2)Cl)N=C=O

InChI

InChI=1S/C15H12ClNOS/c16-13-6-4-12(5-7-13)8-9-19-15-3-1-2-14(10-15)17-11-18/h1-7,10H,8-9H2