(2S)-N-(4-bromophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide

Systemtic Name: (2S)-N-(4-bromophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Openeye Name: (2S)-N-(4-bromophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide CAS Name: (2S)-N-(4-bromophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]butanamide IUPAC Name: (2S)-N-(4-bromophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide Traditional Name: (2S)-N-(4-bromophenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]butyramide Formula: C19H19BrN4OS MolecularWeight: 431.34936

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)Br)SC2=NN=C(N2C)C3=CC=CC=C3

InChI

InChI=1S/C19H19BrN4OS/c1-3-16(18(25)21-15-11-9-14(20)10-12-15)26-19-23-22-17(24(19)2)13-7-5-4-6-8-13/h4-12,16H,3H2,1-2H3,(H,21,25)/t16-/m0/s1