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

Systemtic Name: 4-[[1-(3-methylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[1-(m-tolyl)tetrazol-5-yl]sulfanyl-1-phenyl-butan-1-one CAS Name: 4-[[1-(3-methylphenyl)-5-tetrazolyl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[1-(3-methylphenyl)tetrazol-5-yl]sulfanyl-1-phenylbutan-1-one Traditional Name: 4-[[1-(m-tolyl)tetrazol-5-yl]thio]-1-phenyl-butan-1-one Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4OS/c1-14-7-5-10-16(13-14)22-18(19-20-21-22)24-12-6-11-17(23)15-8-3-2-4-9-15/h2-5,7-10,13H,6,11-12H2,1H3