methyl 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]-3-methoxy-benzoate

Systemtic Name: methyl 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]-3-methoxy-benzoate CAS Name: 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentoxy]-3-methoxybenzoate Traditional Name: 4-[5-[(4,5-diphenyl-1H-imidazol-2-yl)thio]pentoxy]-3-methoxy-benzoic acid methyl ester Formula: C29H30N2O4S MolecularWeight: 502.6245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCCCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCCCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N2O4S/c1-33-25-20-23(28(32)34-2)16-17-24(25)35-18-10-5-11-19-36-29-30-26(21-12-6-3-7-13-21)27(31-29)22-14-8-4-9-15-22/h3-4,6-9,12-17,20H,5,10-11,18-19H2,1-2H3,(H,30,31)