1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

Systemtic Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-(1,3,4-thiadiazol-2-ylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-(1,3,4-thiadiazol-2-ylthio)ethanone Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=CS3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CSC3=NN=CS3

InChI

InChI=1S/C18H19N3OS2/c1-13-10-16(17(22)11-23-18-20-19-12-24-18)14(2)21(13)9-8-15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3