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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=NN1C2=CC=CC=C2

Isomeric SMILES

CC(C(=O)C)SC1=NN=NN1C2=CC=CC=C2

InChI

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