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

Systemtic Name: (2S)-1-(4-ethylphenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-propan-1-one CAS Name: (2S)-1-(4-ethylphenyl)-2-[(1-phenyl-5-tetrazolyl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one Traditional Name: (2S)-1-(4-ethylphenyl)-2-[(1-phenyltetrazol-5-yl)thio]propan-1-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H18N4OS/c1-3-14-9-11-15(12-10-14)17(23)13(2)24-18-19-20-21-22(18)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/t13-/m0/s1