7-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one

Systemtic Name: 7-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 7-methyl-4-[[[1-(2-methylpropyl)-2-benzimidazolyl]thio]methyl]-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-6-propan-2-ylchromen-2-one Traditional Name: 4-[[(1-isobutylbenzimidazol-2-yl)thio]methyl]-6-isopropyl-7-methyl-coumarin Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4N3CC(C)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC=C4N3CC(C)C)C(C)C

InChI

InChI=1S/C25H28N2O2S/c1-15(2)13-27-22-9-7-6-8-21(22)26-25(27)30-14-18-11-24(28)29-23-10-17(5)19(16(3)4)12-20(18)23/h6-12,15-16H,13-14H2,1-5H3