3-(4-chloranylpyrazol-1-yl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide

Systemtic Name: 3-(4-chloranylpyrazol-1-yl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Openeye Name: 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: 3-(4-chloro-1-pyrazolyl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide IUPAC Name: 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: 3-(4-chloropyrazol-1-yl)-2-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C21H19ClN4OS MolecularWeight: 410.91976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)CN4C=C(C=N4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(C)CN4C=C(C=N4)Cl

InChI

InChI=1S/C21H19ClN4OS/c1-13-3-8-18-19(9-13)28-21(25-18)15-4-6-17(7-5-15)24-20(27)14(2)11-26-12-16(22)10-23-26/h3-10,12,14H,11H2,1-2H3,(H,24,27)