4-[4-[4-(5-ethyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]piperazin-1-yl]phenol

Systemtic Name: 4-[4-[4-(5-ethyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]piperazin-1-yl]phenol Openeye Name: 4-[4-[4-(5-ethyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]piperazin-1-yl]phenol CAS Name: 4-[4-[4-[5-ethyl-3-(methylthio)-1,2,4-triazol-1-yl]phenyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-[4-(5-ethyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]piperazin-1-yl]phenol Traditional Name: 4-[4-[4-[5-ethyl-3-(methylthio)-1,2,4-triazol-1-yl]phenyl]piperazino]phenol Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)SC

Isomeric SMILES

CCC1=NC(=NN1C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)SC

InChI

InChI=1S/C21H25N5OS/c1-3-20-22-21(28-2)23-26(20)18-6-4-16(5-7-18)24-12-14-25(15-13-24)17-8-10-19(27)11-9-17/h4-11,27H,3,12-15H2,1-2H3