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

Systemtic Name: 1-(4-chlorophenyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]hexadecan-1-one Openeye Name: 1-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanyl-hexadecan-1-one CAS Name: 1-(4-chlorophenyl)-2-[(1-phenyl-5-tetrazolyl)thio]-1-hexadecanone IUPAC Name: 1-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylhexadecan-1-one Traditional Name: 1-(4-chlorophenyl)-2-[(1-phenyltetrazol-5-yl)thio]hexadecan-1-one Formula: C29H39ClN4OS MolecularWeight: 528.156815

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(=O)C1=CC=C(C=C1)Cl)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCC([13C](=O)C1=CC=C(C=C1)Cl)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C29H39ClN4OS/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-27(28(35)24-20-22-25(30)23-21-24)36-29-31-32-33-34(29)26-17-14-13-15-18-26/h13-15,17-18,20-23,27H,2-12,16,19H2,1H3/i28+1