(3R,4S,5S)-2-azanylidene-4-(3,4-dichlorophenyl)-5-ethanoyl-thiolane-3-carbonitrile

Systemtic Name: (3R,4S,5S)-2-azanylidene-4-(3,4-dichlorophenyl)-5-ethanoyl-thiolane-3-carbonitrile Openeye Name: (3R,4S,5S)-5-acetyl-4-(3,4-dichlorophenyl)-2-imino-tetrahydrothiophene-3-carbonitrile CAS Name: (3R,4S,5S)-5-acetyl-4-(3,4-dichlorophenyl)-2-imino-3-thiolanecarbonitrile IUPAC Name: (3R,4S,5S)-5-acetyl-4-(3,4-dichlorophenyl)-2-iminothiolane-3-carbonitrile Traditional Name: (3R,4S,5S)-5-acetyl-4-(3,4-dichlorophenyl)-2-imino-tetrahydrothiophene-3-carbonitrile Formula: C13H10Cl2N2OS MolecularWeight: 313.2023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(C(C(=N)S1)C#N)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(=O)[C@@H]1[C@@H]([C@@H](C(=N)S1)C#N)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C13H10Cl2N2OS/c1-6(18)12-11(8(5-16)13(17)19-12)7-2-3-9(14)10(15)4-7/h2-4,8,11-12,17H,1H3/t8-,11+,12+/m0/s1