4-methyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-methyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-methyl-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-methyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-methyl-N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]-3-pyrrolidinosulfonyl-benzamide Formula: C15H18N4O3S3 MolecularWeight: 398.52342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C15H18N4O3S3/c1-10-5-6-11(13(20)16-14-17-18-15(23-2)24-14)9-12(10)25(21,22)19-7-3-4-8-19/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,17,20)