N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-chloranyl-isoquinoline-3-carboxamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-1-chloranyl-isoquinoline-3-carboxamide Openeye Name: 1-chloro-N-(1,1-dioxothiolan-3-yl)isoquinoline-3-carboxamide CAS Name: 1-chloro-N-(1,1-dioxo-3-thiolanyl)-3-isoquinolinecarboxamide IUPAC Name: 1-chloro-N-(1,1-dioxothiolan-3-yl)isoquinoline-3-carboxamide Traditional Name: 1-chloro-N-(1,1-diketothiolan-3-yl)isoquinoline-3-carboxamide Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1NC(=O)C2=CC3=CC=CC=C3C(=N2)Cl

Isomeric SMILES

C1CS(=O)(=O)CC1NC(=O)C2=CC3=CC=CC=C3C(=N2)Cl

InChI

InChI=1S/C14H13ClN2O3S/c15-13-11-4-2-1-3-9(11)7-12(17-13)14(18)16-10-5-6-21(19,20)8-10/h1-4,7,10H,5-6,8H2,(H,16,18)