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

Systemtic Name: 1-(4-methoxyphenyl)-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanyl-butan-1-one CAS Name: 1-(4-methoxyphenyl)-4-[(1-phenyl-5-tetrazolyl)thio]-1-butanone IUPAC Name: 1-(4-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-(4-methoxyphenyl)-4-[(1-phenyltetrazol-5-yl)thio]butan-1-one Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CCCSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CCCSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-24-16-11-9-14(10-12-16)17(23)8-5-13-25-18-19-20-21-22(18)15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3