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

Systemtic Name: 1-[4-(5-ethyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[4-(5-ethyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[4-[5-ethyl-3-(methylthio)-1,2,4-triazol-1-yl]phenyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[4-(5-ethyl-3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[4-[5-ethyl-3-(methylthio)-1,2,4-triazol-1-yl]phenyl]-4-(4-methoxyphenyl)piperazine Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5OS/c1-4-21-23-22(29-3)24-27(21)19-7-5-17(6-8-19)25-13-15-26(16-14-25)18-9-11-20(28-2)12-10-18/h5-12H,4,13-16H2,1-3H3