N-[4-(4-bromophenyl)sulfanylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: N-[4-[(4-bromophenyl)thio]phenyl]-3-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: N-[4-(4-bromophenyl)sulfanylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: N-[4-[(4-bromophenyl)thio]phenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3OS/c1-14-20(15(2)25(3)24-14)12-13-21(26)23-17-6-10-19(11-7-17)27-18-8-4-16(22)5-9-18/h4-11H,12-13H2,1-3H3,(H,23,26)