(4-phenylpiperazin-1-yl)-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone

Systemtic Name: (4-phenylpiperazin-1-yl)-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazol-4-yl]methanone Traditional Name: (4-phenylpiperazino)-[1-phenyl-5-[(2-pyrimidylthio)methyl]triazol-4-yl]methanone Formula: C24H23N7OS MolecularWeight: 457.55072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=C(N(N=N3)C4=CC=CC=C4)CSC5=NC=CC=N5

InChI

InChI=1S/C24H23N7OS/c32-23(30-16-14-29(15-17-30)19-8-3-1-4-9-19)22-21(18-33-24-25-12-7-13-26-24)31(28-27-22)20-10-5-2-6-11-20/h1-13H,14-18H2