[4-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]phenyl] thiocyanate

Systemtic Name: [4-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]phenyl] thiocyanate Openeye Name: [4-[(1-oxoisothiochromene-3-carbonyl)amino]phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]phenyl] ester IUPAC Name: [4-[(1-oxoisothiochromene-3-carbonyl)amino]phenyl] thiocyanate Traditional Name: thiocyanic acid [4-[(1-ketoisothiochromene-3-carbonyl)amino]phenyl] ester Formula: C17H10N2O2S2 MolecularWeight: 338.4035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC=C(C=C3)SC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(SC2=O)C(=O)NC3=CC=C(C=C3)SC#N

InChI

InChI=1S/C17H10N2O2S2/c18-10-22-13-7-5-12(6-8-13)19-16(20)15-9-11-3-1-2-4-14(11)17(21)23-15/h1-9H,(H,19,20)