2-methyl-6-methylsulfanyl-4-[4-(4-phenylpiperazin-1-yl)phenyl]benzenecarbonitrile

Systemtic Name: 2-methyl-6-methylsulfanyl-4-[4-(4-phenylpiperazin-1-yl)phenyl]benzenecarbonitrile Openeye Name: 2-methyl-6-methylsulfanyl-4-[4-(4-phenylpiperazin-1-yl)phenyl]benzonitrile CAS Name: 2-methyl-6-(methylthio)-4-[4-(4-phenyl-1-piperazinyl)phenyl]benzonitrile IUPAC Name: 2-methyl-6-methylsulfanyl-4-[4-(4-phenylpiperazin-1-yl)phenyl]benzonitrile Traditional Name: 2-methyl-6-(methylthio)-4-[4-(4-phenylpiperazino)phenyl]benzonitrile Formula: C25H25N3S MolecularWeight: 399.5511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)SC)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=CC=C4)SC)C#N

InChI

InChI=1S/C25H25N3S/c1-19-16-21(17-25(29-2)24(19)18-26)20-8-10-23(11-9-20)28-14-12-27(13-15-28)22-6-4-3-5-7-22/h3-11,16-17H,12-15H2,1-2H3