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

Systemtic Name: 1-(4-butoxyphenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-butoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-butan-1-one CAS Name: 1-(4-butoxyphenyl)-4-[(1-methyl-5-tetrazolyl)thio]-1-butanone IUPAC Name: 1-(4-butoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-(4-butoxyphenyl)-4-[(1-methyltetrazol-5-yl)thio]butan-1-one Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)CCCSC2=NN=NN2C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)CCCSC2=NN=NN2C

InChI

InChI=1S/C16H22N4O2S/c1-3-4-11-22-14-9-7-13(8-10-14)15(21)6-5-12-23-16-17-18-19-20(16)2/h7-10H,3-6,11-12H2,1-2H3