4-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-phenyl-benzamide

Systemtic Name: 4-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[(5-isobutylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[[5-(2-methylpropylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[[5-(2-methylpropylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[5-(isobutylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-N-phenyl-benzamide Formula: C20H21N3OS3 MolecularWeight: 415.59524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)CSC1=NN=C(S1)SCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3

InChI

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