N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C19H24N4O2S2 MolecularWeight: 404.54946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC(C)(C)OC

InChI

InChI=1S/C19H24N4O2S2/c1-12-10-15(22-23(12)4)17(24)20-13-6-7-14-16(11-13)27-18(21-14)26-9-8-19(2,3)25-5/h6-7,10-11H,8-9H2,1-5H3,(H,20,24)