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

Systemtic Name: 1-(4-methoxyphenyl)-4-[4-(5-methyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]piperazine Openeye Name: 1-(4-methoxyphenyl)-4-[4-(5-methyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]piperazine CAS Name: 1-(4-methoxyphenyl)-4-[4-[5-methyl-3-(methylthio)-1,2,4-triazol-1-yl]phenyl]piperazine IUPAC Name: 1-(4-methoxyphenyl)-4-[4-(5-methyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]piperazine Traditional Name: 1-(4-methoxyphenyl)-4-[4-[5-methyl-3-(methylthio)-1,2,4-triazol-1-yl]phenyl]piperazine Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC)SC

Isomeric SMILES

CC1=NC(=NN1C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC)SC

InChI

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