6-chloranyl-7-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(4,5,6-trimethyl-2-pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(4,5,6-trimethylpyrimidin-2-yl)thio]methyl]coumarin Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O2S/c1-9-5-16-14(7-15(9)19)13(6-17(22)23-16)8-24-18-20-11(3)10(2)12(4)21-18/h5-7H,8H2,1-4H3