3-[4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazol-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-pyrazole-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[(4-chlorophenyl)thio]-3,5-dimethyl-1-pyrazolyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(4-chlorophenyl)sulfanyl-3,5-dimethylpyrazole-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[(4-chlorophenyl)thio]-3,5-dimethyl-pyrazole-1-carbonyl]coumarin Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)SC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H15ClN2O3S/c1-12-19(28-16-9-7-15(22)8-10-16)13(2)24(23-12)20(25)17-11-14-5-3-4-6-18(14)27-21(17)26/h3-11H,1-2H3