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

Systemtic Name: 3-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]carbonylchromen-2-one Openeye Name: 3-[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazole-1-carbonyl]chromen-2-one CAS Name: 3-[[3,5-dimethyl-4-[(4-nitrophenyl)thio]-1-pyrazolyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazole-1-carbonyl]chromen-2-one Traditional Name: 3-[3,5-dimethyl-4-[(4-nitrophenyl)thio]pyrazole-1-carbonyl]coumarin Formula: C21H15N3O5S MolecularWeight: 421.4259

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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)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C(=O)C2=CC3=CC=CC=C3OC2=O)C)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O5S/c1-12-19(30-16-9-7-15(8-10-16)24(27)28)13(2)23(22-12)20(25)17-11-14-5-3-4-6-18(14)29-21(17)26/h3-11H,1-2H3