N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C22H21ClN4OS MolecularWeight: 424.94634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCCC2=NC3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCCC2=NC3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4OS/c1-15-20(21(23)27(26-15)14-16-8-3-2-4-9-16)22(28)24-13-7-12-19-25-17-10-5-6-11-18(17)29-19/h2-6,8-11H,7,12-14H2,1H3,(H,24,28)