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6-chloranyl-7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)chromen-2-one

6-chloranyl-7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)chromen-2-one

Systemtic Name:6-chloranyl-7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)chromen-2-one
Openeye Name:6-chloro-7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)chromen-2-one
CAS Name:6-chloro-7-methyl-4-[(1H-perimidin-2-ylthio)methyl]-1-benzopyran-2-one
IUPAC Name:6-chloro-7-methyl-4-(1H-perimidin-2-ylsulfanylmethyl)chromen-2-one
Traditional Name:6-chloro-7-methyl-4-[(1H-perimidin-2-ylthio)methyl]coumarin
Formula: C22H15ClN2O2S
MolecularWeight: 406.8847
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3)Cl


Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NC4=CC=CC5=C4C(=CC=C5)N3)Cl


InChI

InChI=1S/C22H15ClN2O2S/c1-12-8-19-15(10-16(12)23)14(9-20(26)27-19)11-28-22-24-17-6-2-4-13-5-3-7-18(25-22)21(13)17/h2-10H,11H2,1H3,(H,24,25)


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