6-chloranyl-3-isocyanato-7-methyl-4-(2-methylphenyl)thiochromen-2-one

Systemtic Name: 6-chloranyl-3-isocyanato-7-methyl-4-(2-methylphenyl)thiochromen-2-one Openeye Name: 6-chloro-3-isocyanato-7-methyl-4-(o-tolyl)thiochromen-2-one CAS Name: 6-chloro-3-isocyanato-7-methyl-4-(2-methylphenyl)-1-benzothiopyran-2-one IUPAC Name: 6-chloro-3-isocyanato-7-methyl-4-(2-methylphenyl)thiochromen-2-one Traditional Name: 6-chloro-3-isocyanato-7-methyl-4-(o-tolyl)thiochromen-2-one Formula: C18H12ClNO2S MolecularWeight: 341.81138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C(=O)SC3=CC(=C(C=C32)Cl)C)N=C=O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C(=O)SC3=CC(=C(C=C32)Cl)C)N=C=O

InChI

InChI=1S/C18H12ClNO2S/c1-10-5-3-4-6-12(10)16-13-8-14(19)11(2)7-15(13)23-18(22)17(16)20-9-21/h3-8H,1-2H3