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

Systemtic Name: N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(propylthio)-1,3,4-thiadiazol-2-yl]-4-pyrrolidinosulfonyl-benzamide Formula: C16H20N4O3S3 MolecularWeight: 412.55

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCCSC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H20N4O3S3/c1-2-11-24-16-19-18-15(25-16)17-14(21)12-5-7-13(8-6-12)26(22,23)20-9-3-4-10-20/h5-8H,2-4,9-11H2,1H3,(H,17,18,21)