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

Systemtic Name: N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-(prop-2-ynylsulfamoyl)benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide CAS Name: N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-(prop-2-ynylsulfamoyl)benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-(prop-2-ynylsulfamoyl)benzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-(propargylsulfamoyl)benzamide Formula: C19H16N4O3S3 MolecularWeight: 444.55034

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H16N4O3S3/c1-2-12-20-29(25,26)16-10-8-15(9-11-16)17(24)21-18-22-23-19(28-18)27-13-14-6-4-3-5-7-14/h1,3-11,20H,12-13H2,(H,21,22,24)