2-[5-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]-1-methyl-pyrrol-2-yl]ethanenitrile

Systemtic Name: 2-[5-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]-1-methyl-pyrrol-2-yl]ethanenitrile Openeye Name: 2-[5-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]-1-methyl-pyrrol-2-yl]acetonitrile CAS Name: 2-[5-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]-1-methyl-2-pyrrolyl]acetonitrile IUPAC Name: 2-[5-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]-1-methylpyrrol-2-yl]acetonitrile Traditional Name: 2-[5-[2-(4-methoxyphenyl)-1,3-dithiolan-2-yl]-1-methyl-pyrrol-2-yl]acetonitrile Formula: C17H18N2OS2 MolecularWeight: 330.46762

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C1C2(SCCS2)C3=CC=C(C=C3)OC)CC#N

Isomeric SMILES

CN1C(=CC=C1C2(SCCS2)C3=CC=C(C=C3)OC)CC#N

InChI

InChI=1S/C17H18N2OS2/c1-19-14(9-10-18)5-8-16(19)17(21-11-12-22-17)13-3-6-15(20-2)7-4-13/h3-8H,9,11-12H2,1-2H3