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

Systemtic Name: 4-[4-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]phenol Openeye Name: 4-[4-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]phenol CAS Name: 4-[4-[4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]phenol IUPAC Name: 4-[4-[4-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]phenol Traditional Name: 4-[4-[4-[3-methyl-5-(methylthio)-1,2,4-triazol-4-yl]phenyl]piperazino]phenol Formula: C20H23N5OS MolecularWeight: 381.49452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)SC

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O)SC

InChI

InChI=1S/C20H23N5OS/c1-15-21-22-20(27-2)25(15)18-5-3-16(4-6-18)23-11-13-24(14-12-23)17-7-9-19(26)10-8-17/h3-10,26H,11-14H2,1-2H3