(2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(2-bromanyl-4-methyl-phenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: (2S)-N-(2-bromo-4-methylphenyl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(2-bromo-4-methyl-phenyl)-2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H17BrN4OS2 MolecularWeight: 437.37708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)SC2=NN=C(N2C)C3=CC=CS3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)SC2=NN=C(N2C)C3=CC=CS3)Br

InChI

InChI=1S/C17H17BrN4OS2/c1-10-6-7-13(12(18)9-10)19-16(23)11(2)25-17-21-20-15(22(17)3)14-5-4-8-24-14/h4-9,11H,1-3H3,(H,19,23)/t11-/m0/s1