4-methylsulfanyl-2-oxidanylidene-6-[4-(4-phenylpiperazin-1-yl)phenyl]pyran-3-carbonitrile

Systemtic Name: 4-methylsulfanyl-2-oxidanylidene-6-[4-(4-phenylpiperazin-1-yl)phenyl]pyran-3-carbonitrile Openeye Name: 4-methylsulfanyl-2-oxo-6-[4-(4-phenylpiperazin-1-yl)phenyl]pyran-3-carbonitrile CAS Name: 4-(methylthio)-2-oxo-6-[4-(4-phenyl-1-piperazinyl)phenyl]-3-pyrancarbonitrile IUPAC Name: 4-methylsulfanyl-2-oxo-6-[4-(4-phenylpiperazin-1-yl)phenyl]pyran-3-carbonitrile Traditional Name: 2-keto-4-(methylthio)-6-[4-(4-phenylpiperazino)phenyl]pyran-3-carbonitrile Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)OC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)C#N

Isomeric SMILES

CSC1=C(C(=O)OC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C23H21N3O2S/c1-29-22-15-21(28-23(27)20(22)16-24)17-7-9-19(10-8-17)26-13-11-25(12-14-26)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3