1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(2-methylsulfanylimidazol-1-yl)piperazine

Systemtic Name: 1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(2-methylsulfanylimidazol-1-yl)piperazine Openeye Name: 1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(2-methylsulfanylimidazol-1-yl)piperazine CAS Name: 1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-[2-(methylthio)-1-imidazolyl]piperazine IUPAC Name: 1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(2-methylsulfanylimidazol-1-yl)piperazine Traditional Name: 1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-[2-(methylthio)imidazol-1-yl]piperazine Formula: C27H29Cl2N7O3S MolecularWeight: 602.53526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CN1N2CCN(CC2)C3=CC=C(C=C3)OCC4COC(O4)(CN5C=NC=N5)C6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

CSC1=NC=CN1N2CCN(CC2)C3=CC=C(C=C3)OCC4COC(O4)(CN5C=NC=N5)C6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C27H29Cl2N7O3S/c1-40-26-31-8-9-36(26)35-12-10-33(11-13-35)21-3-5-22(6-4-21)37-15-23-16-38-27(39-23,17-34-19-30-18-32-34)24-7-2-20(28)14-25(24)29/h2-9,14,18-19,23H,10-13,15-17H2,1H3