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

Systemtic Name: 6-(9-ethylcarbazol-3-yl)-2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 6-(9-ethylcarbazol-3-yl)-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(9-ethyl-3-carbazolyl)-2-(2-hydroxyethylthio)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 6-(9-ethylcarbazol-3-yl)-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-(9-ethylcarbazol-3-yl)-2-(2-hydroxyethylthio)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-2-25-17-6-4-3-5-14(17)15-11-13(7-8-18(15)25)19-16(12-22)20(27)24-21(23-19)28-10-9-26/h3-8,11,26H,2,9-10H2,1H3,(H,23,24,27)