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

Systemtic Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Openeye Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone CAS Name: [4-(2-pyrimidinyl)-1-piperazinyl]-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone IUPAC Name: (4-pyrimidin-2-ylpiperazin-1-yl)-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Traditional Name: [4-(2-pyrimidyl)piperazino]-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone Formula: C18H19N7OS MolecularWeight: 381.45476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C18H19N7OS/c26-16(24-8-10-25(11-9-24)17-19-6-1-7-20-17)15-4-2-14(3-5-15)12-27-18-21-13-22-23-18/h1-7,13H,8-12H2,(H,21,22,23)