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

Systemtic Name: 6-(9-ethylcarbazol-3-yl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carbonitrile Openeye Name: 2-benzylsulfanyl-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 6-(9-ethyl-3-carbazolyl)-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-benzylsulfanyl-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(benzylthio)-6-(9-ethylcarbazol-3-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C26H20N4OS MolecularWeight: 436.5282

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20N4OS/c1-2-30-22-11-7-6-10-19(22)20-14-18(12-13-23(20)30)24-21(15-27)25(31)29-26(28-24)32-16-17-8-4-3-5-9-17/h3-14H,2,16H2,1H3,(H,28,29,31)