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

Systemtic Name: 4-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-thiophen-2-yl-butan-1-one Openeye Name: 4-[1-(m-tolyl)tetrazol-5-yl]sulfanyl-1-(2-thienyl)butan-1-one CAS Name: 4-[[1-(3-methylphenyl)-5-tetrazolyl]thio]-1-thiophen-2-yl-1-butanone IUPAC Name: 4-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-1-thiophen-2-ylbutan-1-one Traditional Name: 4-[[1-(m-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(=CC=C1)N2C(=NN=N2)SCCCC(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4OS2/c1-12-5-2-6-13(11-12)20-16(17-18-19-20)23-10-3-7-14(21)15-8-4-9-22-15/h2,4-6,8-9,11H,3,7,10H2,1H3