1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[4-(1-phenyltetrazol-5-yl)piperazino]-2-(2-quinolylthio)ethanone Formula: C22H21N7OS MolecularWeight: 431.51344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=NN2C3=CC=CC=C3)C(=O)CSC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCN1C2=NN=NN2C3=CC=CC=C3)C(=O)CSC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H21N7OS/c30-21(16-31-20-11-10-17-6-4-5-9-19(17)23-20)27-12-14-28(15-13-27)22-24-25-26-29(22)18-7-2-1-3-8-18/h1-11H,12-16H2