3-(ethoxymethyl)-5-isothiocyanato-isoquinoline

Systemtic Name: 3-(ethoxymethyl)-5-isothiocyanato-isoquinoline Openeye Name: 3-(ethoxymethyl)-5-isothiocyanato-isoquinoline CAS Name: 3-(ethoxymethyl)-5-isothiocyanatoisoquinoline IUPAC Name: 3-(ethoxymethyl)-5-isothiocyanatoisoquinoline Traditional Name: 3-(ethoxymethyl)-5-isothiocyanato-isoquinoline Formula: C13H12N2OS MolecularWeight: 244.31218

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=NC=C2C=CC=C(C2=C1)N=C=S

Isomeric SMILES

CCOCC1=NC=C2C=CC=C(C2=C1)N=C=S

InChI

InChI=1S/C13H12N2OS/c1-2-16-8-11-6-12-10(7-14-11)4-3-5-13(12)15-9-17/h3-7H,2,8H2,1H3