[4-[(3-ethanoylphenyl)sulfonylamino]-3-ethyl-5-methyl-phenyl] thiocyanate

Systemtic Name: [4-[(3-ethanoylphenyl)sulfonylamino]-3-ethyl-5-methyl-phenyl] thiocyanate Openeye Name: [4-[(3-acetylphenyl)sulfonylamino]-3-ethyl-5-methyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[(3-acetylphenyl)sulfonylamino]-3-ethyl-5-methylphenyl] ester IUPAC Name: [4-[(3-acetylphenyl)sulfonylamino]-3-ethyl-5-methylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(3-acetylphenyl)sulfonylamino]-3-ethyl-5-methyl-phenyl] ester Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1)SC#N)C)NS(=O)(=O)C2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCC1=C(C(=CC(=C1)SC#N)C)NS(=O)(=O)C2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C18H18N2O3S2/c1-4-14-9-16(24-11-19)8-12(2)18(14)20-25(22,23)17-7-5-6-15(10-17)13(3)21/h5-10,20H,4H2,1-3H3