[3,5-dimethyl-4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(2-keto-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-3,5-dimethyl-phenyl] ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3)C)SC#N

InChI

InChI=1S/C18H17N3O3S2/c1-11-7-14(25-10-19)8-12(2)18(11)21-26(23,24)15-4-5-16-13(9-15)3-6-17(22)20-16/h4-5,7-9,21H,3,6H2,1-2H3,(H,20,22)