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N-[4-(isothiocyanatomethyl)-2-methoxy-phenyl]methanesulfonamide

N-[4-(isothiocyanatomethyl)-2-methoxy-phenyl]methanesulfonamide

Systemtic Name:N-[4-(isothiocyanatomethyl)-2-methoxy-phenyl]methanesulfonamide
Openeye Name:N-[4-(isothiocyanatomethyl)-2-methoxy-phenyl]methanesulfonamide
CAS Name:N-[4-(isothiocyanatomethyl)-2-methoxyphenyl]methanesulfonamide
IUPAC Name:N-[4-(isothiocyanatomethyl)-2-methoxyphenyl]methanesulfonamide
Traditional Name:N-[4-(isothiocyanatomethyl)-2-methoxy-phenyl]methanesulfonamide
Formula: C10H12N2O3S2
MolecularWeight: 272.34388
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN=C=S)NS(=O)(=O)C


Isomeric SMILES

COC1=C(C=CC(=C1)CN=C=S)NS(=O)(=O)C


InChI

InChI=1S/C10H12N2O3S2/c1-15-10-5-8(6-11-7-16)3-4-9(10)12-17(2,13)14/h3-5,12H,6H2,1-2H3


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