4-(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)butan-2-one

Systemtic Name: 4-(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)butan-2-one Openeye Name: 4-(4-phenyl-5-thioxo-tetrazol-1-yl)butan-2-one CAS Name: 4-(4-phenyl-5-sulfanylidene-1-tetrazolyl)-2-butanone IUPAC Name: 4-(4-phenyl-5-sulfanylidenetetrazol-1-yl)butan-2-one Traditional Name: 4-(4-phenyl-5-thioxo-tetrazol-1-yl)butan-2-one Formula: C11H12N4OS MolecularWeight: 248.30418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1C(=S)N(N=N1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CCN1C(=S)N(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C11H12N4OS/c1-9(16)7-8-14-11(17)15(13-12-14)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3