ethyl 2-[4-[[4-[[5-[[4,5-bis(chloranyl)imidazol-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-heptoxy-phenyl]methylamino]phenyl]ethanoate

Systemtic Name: ethyl 2-[4-[[4-[[5-[[4,5-bis(chloranyl)imidazol-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-heptoxy-phenyl]methylamino]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[4-[[5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-heptoxy-phenyl]methylamino]phenyl]acetate CAS Name: 2-[4-[[4-[[5-[(4,5-dichloro-1-imidazolyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-2-heptoxyphenyl]methylamino]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[4-[[5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-heptoxyphenyl]methylamino]phenyl]acetate Traditional Name: 2-[4-[[4-[[5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-2-heptoxy-benzyl]amino]phenyl]acetic acid ethyl ester Formula: C31H38Cl2N6O3S MolecularWeight: 645.64282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=CC(=C1)SC2=NN=C(N2C)CN3C=NC(=C3Cl)Cl)CNC4=CC=C(C=C4)CC(=O)OCC

Isomeric SMILES

CCCCCCCOC1=C(C=CC(=C1)SC2=NN=C(N2C)CN3C=NC(=C3Cl)Cl)CNC4=CC=C(C=C4)CC(=O)OCC

InChI

InChI=1S/C31H38Cl2N6O3S/c1-4-6-7-8-9-16-42-26-18-25(43-31-37-36-27(38(31)3)20-39-21-35-29(32)30(39)33)15-12-23(26)19-34-24-13-10-22(11-14-24)17-28(40)41-5-2/h10-15,18,21,34H,4-9,16-17,19-20H2,1-3H3