[3,5-dimethyl-4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonylamino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[[4-(2-ketopyrrolidino)phenyl]sulfonylamino]-3,5-dimethyl-phenyl] ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C)SC#N

InChI

InChI=1S/C19H19N3O3S2/c1-13-10-16(26-12-20)11-14(2)19(13)21-27(24,25)17-7-5-15(6-8-17)22-9-3-4-18(22)23/h5-8,10-11,21H,3-4,9H2,1-2H3