N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloranyl-1,3-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloranyl-1,3-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloro-1,3-dimethyl-pyrazole-4-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloro-1,3-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloro-1,3-dimethylpyrazole-4-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-5-chloro-1,3-dimethyl-pyrazole-4-carboxamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)CC3=NC4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C20H17ClN4OS/c1-12-18(19(21)25(2)24-12)20(26)22-14-9-7-13(8-10-14)11-17-23-15-5-3-4-6-16(15)27-17/h3-10H,11H2,1-2H3,(H,22,26)