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

Systemtic Name: 2-methylsulfanyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide Openeye Name: 2-methylsulfanyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide CAS Name: 2-(methylthio)-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide IUPAC Name: 2-methylsulfanyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide Traditional Name: N-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]-2-(methylthio)butyramide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3)SC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3)SC

InChI

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