4-(9-ethylcarbazol-3-yl)-6-[(4-fluorophenyl)amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(9-ethylcarbazol-3-yl)-6-[(4-fluorophenyl)amino]-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(9-ethylcarbazol-3-yl)-6-(4-fluoroanilino)pyrimidine-5-carbonitrile CAS Name: 4-(9-ethyl-3-carbazolyl)-6-(4-fluoroanilino)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-(9-ethylcarbazol-3-yl)-6-(4-fluoroanilino)pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-(9-ethylcarbazol-3-yl)-6-(4-fluoroanilino)pyrimidine-5-carbonitrile Formula: C32H24FN5S MolecularWeight: 529.629863

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C(=NC(=N3)SCC4=CC=CC=C4)NC5=CC=C(C=C5)F)C#N)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=NC(=N3)SCC4=CC=CC=C4)NC5=CC=C(C=C5)F)C#N)C6=CC=CC=C61

InChI

InChI=1S/C32H24FN5S/c1-2-38-28-11-7-6-10-25(28)26-18-22(12-17-29(26)38)30-27(19-34)31(35-24-15-13-23(33)14-16-24)37-32(36-30)39-20-21-8-4-3-5-9-21/h3-18H,2,20H2,1H3,(H,35,36,37)