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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H14N4OS/c1-12(15(21)13-8-4-2-5-9-13)22-16-17-18-19-20(16)14-10-6-3-7-11-14/h2-12H,1H3