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

Systemtic Name: 1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-2-one Openeye Name: 1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-one CAS Name: 1-[(1-phenyl-5-tetrazolyl)thio]-2-butanone IUPAC Name: 1-(1-phenyltetrazol-5-yl)sulfanylbutan-2-one Traditional Name: 1-[(1-phenyltetrazol-5-yl)thio]butan-2-one Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CSC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CCC(=O)CSC1=NN=NN1C2=CC=CC=C2

InChI

InChI=1S/C11H12N4OS/c1-2-10(16)8-17-11-12-13-14-15(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3