1-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-4-(2-ethylsulfanylimidazol-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-ethylsulfanylimidazol-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-ethylsulfanylimidazol-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-(ethylthio)-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-ethylsulfanylimidazol-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-(ethylthio)imidazol-1-yl]piperazine Formula: C28H31Cl2N7O3S MolecularWeight: 616.56184

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC=CN1N2CCN(CC2)C3=CC=C(C=C3)OCC4COC(O4)(CN5C=NC=N5)C6=C(C=C(C=C6)Cl)Cl

Isomeric SMILES

CCSC1=NC=CN1N2CCN(CC2)C3=CC=C(C=C3)OCC4COC(O4)(CN5C=NC=N5)C6=C(C=C(C=C6)Cl)Cl

InChI

InChI=1S/C28H31Cl2N7O3S/c1-2-41-27-32-9-10-37(27)36-13-11-34(12-14-36)22-4-6-23(7-5-22)38-16-24-17-39-28(40-24,18-35-20-31-19-33-35)25-8-3-21(29)15-26(25)30/h3-10,15,19-20,24H,2,11-14,16-18H2,1H3