6-(9-ethylcarbazol-3-yl)-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 6-(9-ethylcarbazol-3-yl)-4-oxidanylidene-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-allylsulfanyl-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(9-ethyl-3-carbazolyl)-4-oxo-2-(prop-2-enylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(9-ethylcarbazol-3-yl)-4-oxo-2-prop-2-enylsulfanyl-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(allylthio)-6-(9-ethylcarbazol-3-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C(N3)SCC=C)C#N)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C(N3)SCC=C)C#N)C4=CC=CC=C41

InChI

InChI=1S/C22H18N4OS/c1-3-11-28-22-24-20(17(13-23)21(27)25-22)14-9-10-19-16(12-14)15-7-5-6-8-18(15)26(19)4-2/h3,5-10,12H,1,4,11H2,2H3,(H,24,25,27)