1-(1-isothiocyanatopent-4-en-2-yl)-4-methoxy-benzene

Systemtic Name: 1-(1-isothiocyanatopent-4-en-2-yl)-4-methoxy-benzene Openeye Name: 1-[1-(isothiocyanatomethyl)but-3-enyl]-4-methoxy-benzene CAS Name: 1-(1-isothiocyanatopent-4-en-2-yl)-4-methoxybenzene IUPAC Name: 1-(1-isothiocyanatopent-4-en-2-yl)-4-methoxybenzene Traditional Name: 1-[1-(isothiocyanatomethyl)but-3-enyl]-4-methoxy-benzene Formula: C13H15NOS MolecularWeight: 233.3293

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC=C)CN=C=S

Isomeric SMILES

COC1=CC=C(C=C1)C(CC=C)CN=C=S

InChI

InChI=1S/C13H15NOS/c1-3-4-12(9-14-10-16)11-5-7-13(15-2)8-6-11/h3,5-8,12H,1,4,9H2,2H3