N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]-3-bromanyl-benzamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methyl-pyrazol-3-yl]-3-bromanyl-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]-3-bromo-benzamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-5-methyl-3-pyrazolyl]-3-bromobenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]-3-bromobenzamide Traditional Name: N-[2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-5-methyl-pyrazol-3-yl]-3-bromo-benzamide Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)Br)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)Br)C3=NC(=CS3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H15BrN4O3S/c1-12-7-19(24-20(27)14-3-2-4-15(22)8-14)26(25-12)21-23-16(10-30-21)13-5-6-17-18(9-13)29-11-28-17/h2-10H,11H2,1H3,(H,24,27)