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

Systemtic Name: 4-[[1-(4-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[1-(p-tolyl)tetrazol-5-yl]sulfanyl-1-(2-thienyl)butan-1-one CAS Name: 4-[[1-(4-methylphenyl)-5-tetrazolyl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[1-(p-tolyl)tetrazol-5-yl]thio]-1-(2-thienyl)butan-1-one Formula: C16H16N4OS2 MolecularWeight: 344.45444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=N2)SCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C16H16N4OS2/c1-12-6-8-13(9-7-12)20-16(17-18-19-20)23-11-2-4-14(21)15-5-3-10-22-15/h3,5-10H,2,4,11H2,1H3