6-chloranyl-7-methyl-4-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]methyl]-6-chloro-7-methyl-coumarin Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=C(N3)C)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC(=C(N3)C)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H19ClN2O2S/c1-13-8-20-17(11-18(13)23)16(10-21(26)27-20)12-28-22-24-14(2)19(25-22)9-15-6-4-3-5-7-15/h3-8,10-11H,9,12H2,1-2H3,(H,24,25)