[4-(1-deuterioethyl)phenyl]-(4,5-dideuteriothiophen-2-yl)methanone

Systemtic Name: [4-(1-deuterioethyl)phenyl]-(4,5-dideuteriothiophen-2-yl)methanone Openeye Name: [4-(1-deuterioethyl)phenyl]-(4,5-dideuterio-2-thienyl)methanone CAS Name: [4-(1-deuterioethyl)phenyl]-(4,5-dideuterio-2-thiophenyl)methanone IUPAC Name: [4-(1-deuterioethyl)phenyl]-(4,5-dideuteriothiophen-2-yl)methanone Traditional Name: [4-(1-deuterioethyl)phenyl]-(4,5-dideuterio-2-thienyl)methanone Formula: C13H12OS MolecularWeight: 219.317265

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=CC=CS2

Isomeric SMILES

[2H]C1=C(SC(=C1)C(=O)C2=CC=C(C=C2)C([2H])C)[2H]

InChI

InChI=1S/C13H12OS/c1-2-10-5-7-11(8-6-10)13(14)12-4-3-9-15-12/h3-9H,2H2,1H3/i2D,3D,9D