4,4-diphenylbutanethioic S-acid; 5-oxa-3-azabicyclo[2.1.0]penta-1,3-diene

Systemtic Name: 4,4-diphenylbutanethioic S-acid; 5-oxa-3-azabicyclo[2.1.0]penta-1,3-diene Openeye Name: 4,4-diphenylbutanethioic S-acid; 5-oxa-3-azabicyclo[2.1.0]penta-1,3-diene CAS Name: 4,4-diphenylbutanethioic S-acid; 5-oxa-3-azabicyclo[2.1.0]penta-1,3-diene IUPAC Name: 4,4-diphenylbutanethioic S-acid; 5-oxa-3-azabicyclo[2.1.0]penta-1,3-diene Traditional Name: 4,4-diphenylthiobutyric acid; 5-oxa-3-azabicyclo[2.1.0]penta-1,3-diene Formula: C19H17NO2S MolecularWeight: 323.40878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC(=O)S)C2=CC=CC=C2.C1=C2C(=N1)O2

Isomeric SMILES

C1=CC=C(C=C1)C(CCC(=O)S)C2=CC=CC=C2.C1=C2C(=N1)O2

InChI

InChI=1S/C16H16OS.C3HNO/c17-16(18)12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-2-3(4-1)5-2/h1-10,15H,11-12H2,(H,17,18);1H