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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

Isomeric SMILES

CCC1=C(C=CC(=C1)SC#N)NS(=O)(=O)C2=CC3=C(C=C2)NC(=O)CC3

InChI

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