4-chloranyl-6-(9-ethylcarbazol-3-yl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-chloranyl-6-(9-ethylcarbazol-3-yl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-4-chloro-6-(9-ethylcarbazol-3-yl)pyrimidine-5-carbonitrile CAS Name: 4-chloro-6-(9-ethyl-3-carbazolyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-chloro-6-(9-ethylcarbazol-3-yl)pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-4-chloro-6-(9-ethylcarbazol-3-yl)pyrimidine-5-carbonitrile Formula: C26H19ClN4S MolecularWeight: 454.97386

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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)Cl)C#N)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=NC(=N3)SCC4=CC=CC=C4)Cl)C#N)C5=CC=CC=C51

InChI

InChI=1S/C26H19ClN4S/c1-2-31-22-11-7-6-10-19(22)20-14-18(12-13-23(20)31)24-21(15-28)25(27)30-26(29-24)32-16-17-8-4-3-5-9-17/h3-14H,2,16H2,1H3