5-isothiocyanato-3-(methoxymethyl)isoquinoline

Systemtic Name: 5-isothiocyanato-3-(methoxymethyl)isoquinoline Openeye Name: 5-isothiocyanato-3-(methoxymethyl)isoquinoline CAS Name: 5-isothiocyanato-3-(methoxymethyl)isoquinoline IUPAC Name: 5-isothiocyanato-3-(methoxymethyl)isoquinoline Traditional Name: 5-isothiocyanato-3-(methoxymethyl)isoquinoline Formula: C12H10N2OS MolecularWeight: 230.2856

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NC=C2C=CC=C(C2=C1)N=C=S

Isomeric SMILES

COCC1=NC=C2C=CC=C(C2=C1)N=C=S

InChI

InChI=1S/C12H10N2OS/c1-15-7-10-5-11-9(6-13-10)3-2-4-12(11)14-8-16/h2-6H,7H2,1H3