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

Systemtic Name: 4-(9-ethylcarbazol-3-yl)-6-phenylazanyl-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 4-anilino-2-benzylsulfanyl-6-(9-ethylcarbazol-3-yl)pyrimidine-5-carbonitrile CAS Name: 4-anilino-6-(9-ethyl-3-carbazolyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 4-anilino-2-benzylsulfanyl-6-(9-ethylcarbazol-3-yl)pyrimidine-5-carbonitrile Traditional Name: 4-anilino-2-(benzylthio)-6-(9-ethylcarbazol-3-yl)pyrimidine-5-carbonitrile Formula: C32H25N5S MolecularWeight: 511.6394

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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=CC=C5)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=CC=C5)C#N)C6=CC=CC=C61

InChI

InChI=1S/C32H25N5S/c1-2-37-28-16-10-9-15-25(28)26-19-23(17-18-29(26)37)30-27(20-33)31(34-24-13-7-4-8-14-24)36-32(35-30)38-21-22-11-5-3-6-12-22/h3-19H,2,21H2,1H3,(H,34,35,36)