4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]methyl]-7-ethyl-coumarin Formula: C29H26N2O2S MolecularWeight: 466.59394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=C(N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C29H26N2O2S/c1-4-20-9-14-24-23(16-26(32)33-25(24)15-20)17-34-29-30-27(21-10-5-18(2)6-11-21)28(31-29)22-12-7-19(3)8-13-22/h5-16H,4,17H2,1-3H3,(H,30,31)