1-isocyanato-4-[(4-nitrophenyl)sulfanylmethyl]benzene

Systemtic Name: 1-isocyanato-4-[(4-nitrophenyl)sulfanylmethyl]benzene Openeye Name: 1-isocyanato-4-[(4-nitrophenyl)sulfanylmethyl]benzene CAS Name: 1-isocyanato-4-[[(4-nitrophenyl)thio]methyl]benzene IUPAC Name: 1-isocyanato-4-[(4-nitrophenyl)sulfanylmethyl]benzene Traditional Name: 1-isocyanato-4-[[(4-nitrophenyl)thio]methyl]benzene Formula: C14H10N2O3S MolecularWeight: 286.3058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC=C(C=C2)[N+](=O)[O-])N=C=O

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)[N+](=O)[O-])N=C=O

InChI

InChI=1S/C14H10N2O3S/c17-10-15-12-3-1-11(2-4-12)9-20-14-7-5-13(6-8-14)16(18)19/h1-8H,9H2