2-(4-chlorophenyl)ethynyl (1Z)-2-oxidanylidene-N-phenylazanyl-propanimidothioate

Systemtic Name: 2-(4-chlorophenyl)ethynyl (1Z)-2-oxidanylidene-N-phenylazanyl-propanimidothioate Openeye Name: 2-(4-chlorophenyl)ethynyl (1Z)-N-anilino-2-oxo-propanimidothioate CAS Name: (1Z)-N-anilino-2-oxopropanimidothioic acid 2-(4-chlorophenyl)ethynyl ester IUPAC Name: 2-(4-chlorophenyl)ethynyl (1Z)-N-anilino-2-oxopropanimidothioate Traditional Name: (1Z)-N-anilino-2-keto-thiopropionimidic acid 2-(4-chlorophenyl)ethynyl ester Formula: C17H13ClN2OS MolecularWeight: 328.81592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=NNC1=CC=CC=C1)SC#CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)/C(=N/NC1=CC=CC=C1)/SC#CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H13ClN2OS/c1-13(21)17(20-19-16-5-3-2-4-6-16)22-12-11-14-7-9-15(18)10-8-14/h2-10,19H,1H3/b20-17-