2-ethyl-3-phenyl-4H-1,4-thiazepin-5-one

Systemtic Name: 2-ethyl-3-phenyl-4H-1,4-thiazepin-5-one Openeye Name: 2-ethyl-3-phenyl-4H-1,4-thiazepin-5-one CAS Name: 2-ethyl-3-phenyl-4H-1,4-thiazepin-5-one IUPAC Name: 2-ethyl-3-phenyl-4H-1,4-thiazepin-5-one Traditional Name: 2-ethyl-3-phenyl-4H-1,4-thiazepin-5-one Formula: C13H13NOS MolecularWeight: 231.31342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=O)C=CS1)C2=CC=CC=C2

Isomeric SMILES

CCC1=C(NC(=O)C=CS1)C2=CC=CC=C2

InChI

InChI=1S/C13H13NOS/c1-2-11-13(10-6-4-3-5-7-10)14-12(15)8-9-16-11/h3-9H,2H2,1H3,(H,14,15)