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

Systemtic Name: 3-[3,5-dimethyl-4-(4-methylphenyl)sulfanyl-pyrazol-1-yl]carbonylchromen-2-one Openeye Name: 3-[3,5-dimethyl-4-(p-tolylsulfanyl)pyrazole-1-carbonyl]chromen-2-one CAS Name: 3-[[3,5-dimethyl-4-[(4-methylphenyl)thio]-1-pyrazolyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazole-1-carbonyl]chromen-2-one Traditional Name: 3-[3,5-dimethyl-4-(p-tolylthio)pyrazole-1-carbonyl]coumarin Formula: C22H18N2O3S MolecularWeight: 390.45492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC4=CC=CC=C4OC3=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(N(N=C2C)C(=O)C3=CC4=CC=CC=C4OC3=O)C

InChI

InChI=1S/C22H18N2O3S/c1-13-8-10-17(11-9-13)28-20-14(2)23-24(15(20)3)21(25)18-12-16-6-4-5-7-19(16)27-22(18)26/h4-12H,1-3H3