4-(9-ethylcarbazol-3-yl)-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(9-ethylcarbazol-3-yl)-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-2-benzylsulfanyl-4-(9-ethylcarbazol-3-yl)-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(9-ethyl-3-carbazolyl)-6-oxo-1-(phenylmethyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-2-benzylsulfanyl-4-(9-ethylcarbazol-3-yl)-6-oxopyrimidine-5-carbonitrile Traditional Name: 1-benzyl-2-(benzylthio)-4-(9-ethylcarbazol-3-yl)-6-keto-pyrimidine-5-carbonitrile Formula: C33H26N4OS MolecularWeight: 526.65074

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N(C(=N3)SCC4=CC=CC=C4)CC5=CC=CC=C5)C#N)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N(C(=N3)SCC4=CC=CC=C4)CC5=CC=CC=C5)C#N)C6=CC=CC=C61

InChI

InChI=1S/C33H26N4OS/c1-2-36-29-16-10-9-15-26(29)27-19-25(17-18-30(27)36)31-28(20-34)32(38)37(21-23-11-5-3-6-12-23)33(35-31)39-22-24-13-7-4-8-14-24/h3-19H,2,21-22H2,1H3