3-azanyl-2-[1,1-bis(oxidanylidene)thian-4-yl]isoquinolin-1-one

Systemtic Name: 3-azanyl-2-[1,1-bis(oxidanylidene)thian-4-yl]isoquinolin-1-one Openeye Name: 3-amino-2-(1,1-dioxothian-4-yl)isoquinolin-1-one CAS Name: 3-amino-2-(1,1-dioxo-4-thianyl)-1-isoquinolinone IUPAC Name: 3-amino-2-(1,1-dioxothian-4-yl)isoquinolin-1-one Traditional Name: 3-amino-2-(1,1-diketothian-4-yl)isocarbostyril Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1N2C(=CC3=CC=CC=C3C2=O)N

Isomeric SMILES

C1CS(=O)(=O)CCC1N2C(=CC3=CC=CC=C3C2=O)N

InChI

InChI=1S/C14H16N2O3S/c15-13-9-10-3-1-2-4-12(10)14(17)16(13)11-5-7-20(18,19)8-6-11/h1-4,9,11H,5-8,15H2