N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-4-(prop-2-ynylsulfamoyl)benzamide

Systemtic Name: N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-4-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-[5-(4-isopropylphenyl)-1,3,4-thiadiazol-2-yl]-4-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-4-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]-4-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-(5-p-cumenyl-1,3,4-thiadiazol-2-yl)-4-(propargylsulfamoyl)benzamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H20N4O3S2/c1-4-13-22-30(27,28)18-11-9-16(10-12-18)19(26)23-21-25-24-20(29-21)17-7-5-15(6-8-17)14(2)3/h1,5-12,14,22H,13H2,2-3H3,(H,23,25,26)