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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=NN(C=C4)C(C)C)Cl

Isomeric SMILES

CC1=C(C=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)C4=NN(C=C4)C(C)C)Cl

InChI

InChI=1S/C22H21ClN4OS/c1-14(2)27-12-11-18(25-27)21(28)26(13-16-7-5-4-6-8-16)22-24-20-15(3)17(23)9-10-19(20)29-22/h4-12,14H,13H2,1-3H3