1-phenyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one

Systemtic Name: 1-phenyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: 1-phenyl-3-(1-phenyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: 1-phenyl-3-[(1-phenyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: 1-phenyl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: 1-phenyl-3-[(1-phenyltetrazol-5-yl)thio]propan-1-one Formula: C16H14N4OS MolecularWeight: 310.37356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H14N4OS/c21-15(13-7-3-1-4-8-13)11-12-22-16-17-18-19-20(16)14-9-5-2-6-10-14/h1-10H,11-12H2