5-methyl-1-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide

Systemtic Name: 5-methyl-1-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide Openeye Name: 5-methyl-1-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide CAS Name: 5-methyl-1-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-4-pyrazolecarboxamide IUPAC Name: 5-methyl-1-phenyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide Traditional Name: 5-methyl-1-phenyl-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)pyrazole-4-carboxamide Formula: C21H17N5O3S2 MolecularWeight: 451.52138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CC#C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)N)CC#C

InChI

InChI=1S/C21H17N5O3S2/c1-3-11-25-18-10-9-16(31(22,28)29)12-19(18)30-21(25)24-20(27)17-13-23-26(14(17)2)15-7-5-4-6-8-15/h1,4-10,12-13H,11H2,2H3,(H2,22,28,29)