N-(1,3-benzothiazol-2-ylmethyl)-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxamide Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC2=NC3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCC2=NC3=CC=CC=C3S2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H17ClN4OS/c1-13-18(19(21)25(24-13)12-14-7-3-2-4-8-14)20(26)22-11-17-23-15-9-5-6-10-16(15)27-17/h2-10H,11-12H2,1H3,(H,22,26)