[5-(4-bromophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]methyl 2-methylbenzoate

Systemtic Name: [5-(4-bromophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]methyl 2-methylbenzoate Openeye Name: [5-(4-bromophenyl)sulfanyl-1-methyl-3-phenyl-pyrazol-4-yl]methyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid [5-[(4-bromophenyl)thio]-1-methyl-3-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [5-(4-bromophenyl)sulfanyl-1-methyl-3-phenylpyrazol-4-yl]methyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [5-[(4-bromophenyl)thio]-1-methyl-3-phenyl-pyrazol-4-yl]methyl ester Formula: C25H21BrN2O2S MolecularWeight: 493.41544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC2=C(N(N=C2C3=CC=CC=C3)C)SC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC2=C(N(N=C2C3=CC=CC=C3)C)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H21BrN2O2S/c1-17-8-6-7-11-21(17)25(29)30-16-22-23(18-9-4-3-5-10-18)27-28(2)24(22)31-20-14-12-19(26)13-15-20/h3-15H,16H2,1-2H3