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

Systemtic Name: N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]-2-propan-2-ylsulfanyl-benzamide Openeye Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-2-isopropylsulfanyl-benzamide CAS Name: N-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]-2-(propan-2-ylthio)benzamide IUPAC Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-2-propan-2-ylsulfanylbenzamide Traditional Name: N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-2-(isopropylthio)benzamide Formula: C20H21N3OS3 MolecularWeight: 415.59524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3OS3/c1-14(2)26-17-11-7-6-10-16(17)19(24)21-20-23-22-18(27-20)13-25-12-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,23,24)