2-ethylsulfanyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide

Systemtic Name: 2-ethylsulfanyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide Openeye Name: 2-ethylsulfanyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide CAS Name: 2-(ethylthio)-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide IUPAC Name: 2-ethylsulfanyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide Traditional Name: 2-(ethylthio)-N-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propionamide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3

Isomeric SMILES

CCSC(C)C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3

InChI

InChI=1S/C16H19N3O2S/c1-3-22-9(2)15(20)17-11-6-4-10(5-7-11)14-12-8-13(12)16(21)19-18-14/h4-7,9,12-13H,3,8H2,1-2H3,(H,17,20)(H,19,21)