4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one Openeye Name: 4-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanylmethyl]-6-chloro-7-ethyl-chromen-2-one CAS Name: 4-[[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]methyl]-6-chloro-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanylmethyl]-6-chloro-7-ethylchromen-2-one Traditional Name: 4-[[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]methyl]-6-chloro-7-ethyl-coumarin Formula: C29H25ClN2O2S MolecularWeight: 501.039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=C(N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=C(N3)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C)Cl

InChI

InChI=1S/C29H25ClN2O2S/c1-4-19-13-25-23(15-24(19)30)22(14-26(33)34-25)16-35-29-31-27(20-9-5-17(2)6-10-20)28(32-29)21-11-7-18(3)8-12-21/h5-15H,4,16H2,1-3H3,(H,31,32)