3-(4-iodanyl-5-methyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide

Systemtic Name: 3-(4-iodanyl-5-methyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Openeye Name: 3-(4-iodo-5-methyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide CAS Name: 3-(4-iodo-5-methyl-1-pyrazolyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide IUPAC Name: 3-(4-iodo-5-methylpyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propanamide Traditional Name: 3-(4-iodo-5-methyl-pyrazol-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]propionamide Formula: C21H19IN4OS MolecularWeight: 502.37123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C(=C(C=N4)I)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCN4C(=C(C=N4)I)C

InChI

InChI=1S/C21H19IN4OS/c1-13-3-8-18-19(11-13)28-21(25-18)15-4-6-16(7-5-15)24-20(27)9-10-26-14(2)17(22)12-23-26/h3-8,11-12H,9-10H2,1-2H3,(H,24,27)