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

Systemtic Name: [4-(2-hydroxyphenyl)piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Openeye Name: [4-(2-hydroxyphenyl)piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone CAS Name: [4-(2-hydroxyphenyl)-1-piperazinyl]-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone IUPAC Name: [4-(2-hydroxyphenyl)piperazin-1-yl]-[4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)phenyl]methanone Traditional Name: [4-(2-hydroxyphenyl)piperazino]-[4-[(1H-1,2,4-triazol-5-ylthio)methyl]phenyl]methanone Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C20H21N5O2S/c26-18-4-2-1-3-17(18)24-9-11-25(12-10-24)19(27)16-7-5-15(6-8-16)13-28-20-21-14-22-23-20/h1-8,14,26H,9-13H2,(H,21,22,23)