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

Systemtic Name: 2-(cyclopropylmethylsulfanyl)-6-(9-ethylcarbazol-3-yl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-(cyclopropylmethylsulfanyl)-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-(cyclopropylmethylthio)-6-(9-ethyl-3-carbazolyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-(cyclopropylmethylsulfanyl)-6-(9-ethylcarbazol-3-yl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 2-(cyclopropylmethylthio)-6-(9-ethylcarbazol-3-yl)-4-keto-1H-pyrimidine-5-carbonitrile Formula: C23H20N4OS MolecularWeight: 400.4961

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C(N3)SCC4CC4)C#N)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C3=C(C(=O)N=C(N3)SCC4CC4)C#N)C5=CC=CC=C51

InChI

InChI=1S/C23H20N4OS/c1-2-27-19-6-4-3-5-16(19)17-11-15(9-10-20(17)27)21-18(12-24)22(28)26-23(25-21)29-13-14-7-8-14/h3-6,9-11,14H,2,7-8,13H2,1H3,(H,25,26,28)