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

Systemtic Name: N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide Openeye Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide CAS Name: N-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide IUPAC Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-2-propylsulfonylbenzamide Traditional Name: N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-2-propylsulfonyl-benzamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)C1=CC=CC=C1C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S3/c1-2-12-29(25,26)17-11-7-6-10-16(17)19(24)21-20-23-22-18(28-20)14-27-13-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,23,24)