5-[bis(5-methylfuran-2-yl)methyl]-6-isothiocyanato-1,3-benzodioxole

Systemtic Name: 5-[bis(5-methylfuran-2-yl)methyl]-6-isothiocyanato-1,3-benzodioxole Openeye Name: 5-[bis(5-methyl-2-furyl)methyl]-6-isothiocyanato-1,3-benzodioxole CAS Name: 5-[bis(5-methyl-2-furanyl)methyl]-6-isothiocyanato-1,3-benzodioxole IUPAC Name: 5-[bis(5-methylfuran-2-yl)methyl]-6-isothiocyanato-1,3-benzodioxole Traditional Name: 5-[bis(5-methyl-2-furyl)methyl]-6-isothiocyanato-1,3-benzodioxole Formula: C19H15NO4S MolecularWeight: 353.3917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC4=C(C=C3N=C=S)OCO4

Isomeric SMILES

CC1=CC=C(O1)C(C2=CC=C(O2)C)C3=CC4=C(C=C3N=C=S)OCO4

InChI

InChI=1S/C19H15NO4S/c1-11-3-5-15(23-11)19(16-6-4-12(2)24-16)13-7-17-18(22-10-21-17)8-14(13)20-9-25/h3-8,19H,10H2,1-2H3