3-chloranyl-N-[3-[[3-(cyanomethyl)phenyl]amino]-2-oxidanyl-propyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide

Systemtic Name: 3-chloranyl-N-[3-[[3-(cyanomethyl)phenyl]amino]-2-oxidanyl-propyl]-6-sulfanylidene-cyclohexa-1,3-diene-1-carboxamide Openeye Name: 3-chloro-N-[3-[3-(cyanomethyl)anilino]-2-hydroxy-propyl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamide CAS Name: 3-chloro-N-[3-[3-(cyanomethyl)anilino]-2-hydroxypropyl]-6-sulfanylidene-1-cyclohexa-1,3-dienecarboxamide IUPAC Name: 3-chloro-N-[3-[3-(cyanomethyl)anilino]-2-hydroxypropyl]-6-sulfanylidenecyclohexa-1,3-diene-1-carboxamide Traditional Name: 3-chloro-N-[3-[3-(cyanomethyl)anilino]-2-hydroxy-propyl]-6-thioxo-cyclohexa-1,3-diene-1-carboxamide Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C(C1=S)C(=O)NCC(CNC2=CC=CC(=C2)CC#N)O)Cl

Isomeric SMILES

C1C=C(C=C(C1=S)C(=O)NCC(CNC2=CC=CC(=C2)CC#N)O)Cl

InChI

InChI=1S/C18H18ClN3O2S/c19-13-4-5-17(25)16(9-13)18(24)22-11-15(23)10-21-14-3-1-2-12(8-14)6-7-20/h1-4,8-9,15,21,23H,5-6,10-11H2,(H,22,24)