3-[3-(9-azanyl-8,11-dimethyl-7-oxidanylidene-4-thia-8,10-diazaspiro[4.6]undec-9-en-11-yl)phenyl]benzenecarbonitrile

Systemtic Name: 3-[3-(9-azanyl-8,11-dimethyl-7-oxidanylidene-4-thia-8,10-diazaspiro[4.6]undec-9-en-11-yl)phenyl]benzenecarbonitrile Openeye Name: 3-[3-(9-amino-8,11-dimethyl-7-oxo-4-thia-8,10-diazaspiro[4.6]undec-9-en-11-yl)phenyl]benzonitrile CAS Name: 3-[3-(9-amino-8,11-dimethyl-7-oxo-4-thia-8,10-diazaspiro[4.6]undec-9-en-11-yl)phenyl]benzonitrile IUPAC Name: 3-[3-(9-amino-8,11-dimethyl-7-oxo-4-thia-8,10-diazaspiro[4.6]undec-9-en-11-yl)phenyl]benzonitrile Traditional Name: 3-[3-(9-amino-7-keto-8,11-dimethyl-4-thia-8,10-diazaspiro[4.6]undec-9-en-11-yl)phenyl]benzonitrile Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2(CCCS2)CC(=O)N(C(=N1)N)C)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1(C2(CCCS2)CC(=O)N(C(=N1)N)C)C3=CC=CC(=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H24N4OS/c1-22(23(10-5-11-29-23)14-20(28)27(2)21(25)26-22)19-9-4-8-18(13-19)17-7-3-6-16(12-17)15-24/h3-4,6-9,12-13H,5,10-11,14H2,1-2H3,(H2,25,26)