3-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-(3-thiophen-2-ylphenyl)prop-2-yn-1-one

Systemtic Name: 3-[4-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-(3-thiophen-2-ylphenyl)prop-2-yn-1-one Openeye Name: 3-[4-(2H-tetrazol-5-yl)phenyl]-1-[3-(2-thienyl)phenyl]prop-2-yn-1-one CAS Name: 3-[4-(2H-tetrazol-5-yl)phenyl]-1-(3-thiophen-2-ylphenyl)-2-propyn-1-one IUPAC Name: 3-[4-(2H-tetrazol-5-yl)phenyl]-1-(3-thiophen-2-ylphenyl)prop-2-yn-1-one Traditional Name: 3-[4-(2H-tetrazol-5-yl)phenyl]-1-[3-(2-thienyl)phenyl]prop-2-yn-1-one Formula: C20H12N4OS MolecularWeight: 356.40048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)C#CC2=CC=C(C=C2)C3=NNN=N3)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)C#CC2=CC=C(C=C2)C3=NNN=N3)C4=CC=CS4

InChI

InChI=1S/C20H12N4OS/c25-18(16-3-1-4-17(13-16)19-5-2-12-26-19)11-8-14-6-9-15(10-7-14)20-21-23-24-22-20/h1-7,9-10,12-13H,(H,21,22,23,24)