12-bromanyl-4-phenacyl-12-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]dodecanamide

Systemtic Name: 12-bromanyl-4-phenacyl-12-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]dodecanamide Openeye Name: 12-bromo-4-phenacyl-12-(1-phenyltetrazol-5-yl)sulfanyl-dodecanamide CAS Name: 12-bromo-4-phenacyl-12-[(1-phenyl-5-tetrazolyl)thio]dodecanamide IUPAC Name: 12-bromo-4-phenacyl-12-(1-phenyltetrazol-5-yl)sulfanyldodecanamide Traditional Name: 12-bromo-4-phenacyl-12-[(1-phenyltetrazol-5-yl)thio]lauramide Formula: C27H34BrN5O2S MolecularWeight: 572.56016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(CCCCCCCC(SC2=NN=NN2C3=CC=CC=C3)Br)CCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(CCCCCCCC(SC2=NN=NN2C3=CC=CC=C3)Br)CCC(=O)N

InChI

InChI=1S/C27H34BrN5O2S/c28-25(36-27-30-31-32-33(27)23-15-9-5-10-16-23)17-11-3-1-2-6-12-21(18-19-26(29)35)20-24(34)22-13-7-4-8-14-22/h4-5,7-10,13-16,21,25H,1-3,6,11-12,17-20H2,(H2,29,35)