(2S)-2-(benzotriazol-1-yl)-3-methyl-2-methylsulfanyl-N-phenyl-butanamide

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-3-methyl-2-methylsulfanyl-N-phenyl-butanamide Openeye Name: (2S)-2-(benzotriazol-1-yl)-3-methyl-2-methylsulfanyl-N-phenyl-butanamide CAS Name: (2S)-2-(1-benzotriazolyl)-3-methyl-2-(methylthio)-N-phenylbutanamide IUPAC Name: (2S)-2-(benzotriazol-1-yl)-3-methyl-2-methylsulfanyl-N-phenylbutanamide Traditional Name: (2S)-2-(benzotriazol-1-yl)-3-methyl-2-(methylthio)-N-phenyl-butyramide Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)SC

Isomeric SMILES

CC(C)[C@](C(=O)NC1=CC=CC=C1)(N2C3=CC=CC=C3N=N2)SC

InChI

InChI=1S/C18H20N4OS/c1-13(2)18(24-3,17(23)19-14-9-5-4-6-10-14)22-16-12-8-7-11-15(16)20-21-22/h4-13H,1-3H3,(H,19,23)/t18-/m0/s1