3-(1,3-benzothiazol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propionamide Formula: C26H22N4OS MolecularWeight: 438.54408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCC3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C26H22N4OS/c31-24(15-16-25-28-22-13-7-8-14-23(22)32-25)27-17-20-18-30(21-11-5-2-6-12-21)29-26(20)19-9-3-1-4-10-19/h1-14,18H,15-17H2,(H,27,31)