N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-propylsulfonyl-benzamide

Systemtic Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-propylsulfonyl-benzamide Openeye Name: 2-propylsulfonyl-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: N-[5-(butan-2-ylthio)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide IUPAC Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-propylsulfonylbenzamide Traditional Name: 2-propylsulfonyl-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C16H21N3O3S3 MolecularWeight: 399.55124

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)SC(C)CC

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)SC(C)CC

InChI

InChI=1S/C16H21N3O3S3/c1-4-10-25(21,22)13-9-7-6-8-12(13)14(20)17-15-18-19-16(24-15)23-11(3)5-2/h6-9,11H,4-5,10H2,1-3H3,(H,17,18,20)