2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-tetradecoxyphenyl)ethanone

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-tetradecoxyphenyl)ethanone Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-1-(4-tetradecoxyphenyl)ethanone CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-1-(4-tetradecoxyphenyl)ethanone IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-1-(4-tetradecoxyphenyl)ethanone Traditional Name: 1-(4-myristyloxyphenyl)-2-[(1-phenyltetrazol-5-yl)thio]ethanone Formula: C29H40N4O2S MolecularWeight: 508.7185

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CSC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C29H40N4O2S/c1-2-3-4-5-6-7-8-9-10-11-12-16-23-35-27-21-19-25(20-22-27)28(34)24-36-29-30-31-32-33(29)26-17-14-13-15-18-26/h13-15,17-22H,2-12,16,23-24H2,1H3