(2-phenylsulfanylpyridin-3-yl)-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]methanone

Systemtic Name: (2-phenylsulfanylpyridin-3-yl)-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]methanone Openeye Name: (2-phenylsulfanyl-3-pyridyl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone CAS Name: [4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: (2-phenylsulfanylpyridin-3-yl)-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone Traditional Name: [4-(1-phenyltetrazol-5-yl)piperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C23H21N7OS MolecularWeight: 443.52414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=NN2C3=CC=CC=C3)C(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NN=NN2C3=CC=CC=C3)C(=O)C4=C(N=CC=C4)SC5=CC=CC=C5

InChI

InChI=1S/C23H21N7OS/c31-22(20-12-7-13-24-21(20)32-19-10-5-2-6-11-19)28-14-16-29(17-15-28)23-25-26-27-30(23)18-8-3-1-4-9-18/h1-13H,14-17H2