3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole

Systemtic Name: 3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Openeye Name: 3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole CAS Name: 3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole IUPAC Name: 3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Traditional Name: 3-[2-(4-methoxyphenyl)-1,3-benzodithiol-2-yl]-1H-pyrrole Formula: C18H15NOS2 MolecularWeight: 325.4478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CNC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2(SC3=CC=CC=C3S2)C4=CNC=C4

InChI

InChI=1S/C18H15NOS2/c1-20-15-8-6-13(7-9-15)18(14-10-11-19-12-14)21-16-4-2-3-5-17(16)22-18/h2-12,19H,1H3