N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Openeye Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-thiochroman-4-yl-benzamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-[4-(1-pyrazolylmethyl)phenyl]benzamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide Traditional Name: 2-[4-(pyrazol-1-ylmethyl)phenyl]-N-thiochroman-4-yl-benzamide Formula: C26H23N3OS MolecularWeight: 425.54532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)CN5C=CC=N5

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)C3=CC=CC=C3C4=CC=C(C=C4)CN5C=CC=N5

InChI

InChI=1S/C26H23N3OS/c30-26(28-24-14-17-31-25-9-4-3-8-23(24)25)22-7-2-1-6-21(22)20-12-10-19(11-13-20)18-29-16-5-15-27-29/h1-13,15-16,24H,14,17-18H2,(H,28,30)