N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[2-(4-chloranyl-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-methylsulfonyl-benzamide Openeye Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-methylsulfonyl-benzamide CAS Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-methylsulfonylbenzamide Traditional Name: N-[2-(4-chloro-1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-3-mesyl-benzamide Formula: C19H15ClN4O3S2 MolecularWeight: 446.9304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)C)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C19H15ClN4O3S2/c1-11-9-16(21-18(25)12-5-3-6-13(10-12)29(2,26)27)24(23-11)19-22-17-14(20)7-4-8-15(17)28-19/h3-10H,1-2H3,(H,21,25)