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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(CCCCCCCCBr)CC(C(=O)N)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CC(CCCCCCCCBr)CC(C(=O)N)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C27H34BrN5O2S/c28-18-12-4-2-1-3-7-13-21(19-24(34)22-14-8-5-9-15-22)20-25(26(29)35)36-27-30-31-32-33(27)23-16-10-6-11-17-23/h5-6,8-11,14-17,21,25H,1-4,7,12-13,18-20H2,(H2,29,35)