3-[3-[(E)-[1-(4-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[(E)-[1-(4-methylphenyl)-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-ylidene]methyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[(E)-[5-oxo-1-(p-tolyl)-2-thioxo-imidazolidin-4-ylidene]methyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[(E)-[1-(4-methylphenyl)-5-oxo-2-sulfanylidene-4-imidazolidinylidene]methyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[(E)-[1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[(E)-[5-keto-1-(p-tolyl)-2-thioxo-imidazolidin-4-ylidene]methyl]indol-1-yl]propionitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CN(C4=CC=CC=C43)CCC#N)NC2=S

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CN(C4=CC=CC=C43)CCC#N)/NC2=S

InChI

InChI=1S/C22H18N4OS/c1-15-7-9-17(10-8-15)26-21(27)19(24-22(26)28)13-16-14-25(12-4-11-23)20-6-3-2-5-18(16)20/h2-3,5-10,13-14H,4,12H2,1H3,(H,24,28)/b19-13+