2-azanylidene-5-methyl-3-(3-oxidanylidene-1-phenyl-butyl)thiolane-3-carbonitrile

Systemtic Name: 2-azanylidene-5-methyl-3-(3-oxidanylidene-1-phenyl-butyl)thiolane-3-carbonitrile Openeye Name: 2-imino-5-methyl-3-(3-oxo-1-phenyl-butyl)tetrahydrothiophene-3-carbonitrile CAS Name: 2-imino-5-methyl-3-(3-oxo-1-phenylbutyl)-3-thiolanecarbonitrile IUPAC Name: 2-imino-5-methyl-3-(3-oxo-1-phenylbutyl)thiolane-3-carbonitrile Traditional Name: 2-imino-3-(3-keto-1-phenyl-butyl)-5-methyl-tetrahydrothiophene-3-carbonitrile Formula: C16H18N2OS MolecularWeight: 286.39192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=N)S1)(C#N)C(CC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CC1CC(C(=N)S1)(C#N)C(CC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C16H18N2OS/c1-11(19)8-14(13-6-4-3-5-7-13)16(10-17)9-12(2)20-15(16)18/h3-7,12,14,18H,8-9H2,1-2H3