1,5-dimethyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]pyrazole-3-carboxamide

Systemtic Name: 1,5-dimethyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]pyrazole-3-carboxamide Openeye Name: 1,5-dimethyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]pyrazole-3-carboxamide CAS Name: 1,5-dimethyl-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-pyrazolecarboxamide IUPAC Name: 1,5-dimethyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]pyrazole-3-carboxamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C17H20N4O3S3 MolecularWeight: 424.5607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CCSC

InChI

InChI=1S/C17H20N4O3S3/c1-11-9-13(19-20(11)2)16(22)18-17-21(7-8-25-3)14-6-5-12(27(4,23)24)10-15(14)26-17/h5-6,9-10H,7-8H2,1-4H3