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

Systemtic Name: 2-decyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]cyclopentan-1-one Openeye Name: 2-decyl-5-(1-phenyltetrazol-5-yl)sulfanyl-cyclopentanone CAS Name: 2-decyl-5-[(1-phenyl-5-tetrazolyl)thio]-1-cyclopentanone IUPAC Name: 2-decyl-5-(1-phenyltetrazol-5-yl)sulfanylcyclopentan-1-one Traditional Name: 2-decyl-5-[(1-phenyltetrazol-5-yl)thio]cyclopentanone Formula: C22H32N4OS MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(C1=O)SC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCC1CCC(C1=O)SC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C22H32N4OS/c1-2-3-4-5-6-7-8-10-13-18-16-17-20(21(18)27)28-22-23-24-25-26(22)19-14-11-9-12-15-19/h9,11-12,14-15,18,20H,2-8,10,13,16-17H2,1H3