1-[isocyano-(4-methylphenyl)sulfanyl-methyl]-3-methylsulfinyl-benzene

Systemtic Name: 1-[isocyano-(4-methylphenyl)sulfanyl-methyl]-3-methylsulfinyl-benzene Openeye Name: 1-[isocyano(p-tolylsulfanyl)methyl]-3-methylsulfinyl-benzene CAS Name: 1-[isocyano-[(4-methylphenyl)thio]methyl]-3-methylsulfinylbenzene IUPAC Name: 1-[isocyano-(4-methylphenyl)sulfanylmethyl]-3-methylsulfinylbenzene Traditional Name: 1-[isocyano-(p-tolylthio)methyl]-3-methylsulfinyl-benzene Formula: C16H15NOS2 MolecularWeight: 301.4264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C2=CC(=CC=C2)S(=O)C)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)SC(C2=CC(=CC=C2)S(=O)C)[N+]#[C-]

InChI

InChI=1S/C16H15NOS2/c1-12-7-9-14(10-8-12)19-16(17-2)13-5-4-6-15(11-13)20(3)18/h4-11,16H,1,3H3