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

Systemtic Name: 1-(4-ethylphenyl)-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]butan-1-one Openeye Name: 1-(4-ethylphenyl)-4-(1-methyltetrazol-5-yl)sulfanyl-butan-1-one CAS Name: 1-(4-ethylphenyl)-4-[(1-methyl-5-tetrazolyl)thio]-1-butanone IUPAC Name: 1-(4-ethylphenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutan-1-one Traditional Name: 1-(4-ethylphenyl)-4-[(1-methyltetrazol-5-yl)thio]butan-1-one Formula: C14H18N4OS MolecularWeight: 290.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCCSC2=NN=NN2C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCCSC2=NN=NN2C

InChI

InChI=1S/C14H18N4OS/c1-3-11-6-8-12(9-7-11)13(19)5-4-10-20-14-15-16-17-18(14)2/h6-9H,3-5,10H2,1-2H3