[5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)furan-2-yl] thiocyanate

Systemtic Name: [5-(2-azanyl-3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydro-4H-chromen-4-yl)furan-2-yl] thiocyanate Openeye Name: [5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)-2-furyl] thiocyanate CAS Name: thiocyanic acid [5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-1-benzopyran-4-yl)-2-furanyl] ester IUPAC Name: [5-(2-amino-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromen-4-yl)furan-2-yl] thiocyanate Traditional Name: thiocyanic acid [5-(2-amino-3-cyano-5-keto-7,7-dimethyl-6,8-dihydro-4H-chromen-4-yl)-2-furyl] ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)SC#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(O3)SC#N)C(=O)C1)C

InChI

InChI=1S/C17H15N3O3S/c1-17(2)5-10(21)15-12(6-17)23-16(20)9(7-18)14(15)11-3-4-13(22-11)24-8-19/h3-4,14H,5-6,20H2,1-2H3