(2S)-3-[(1R)-3-methyl-1-phenyl-butyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile

Systemtic Name: (2S)-3-[(1R)-3-methyl-1-phenyl-butyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile Openeye Name: (2S)-3-[(1R)-3-methyl-1-phenyl-butyl]imino-2-(4-methylthiazol-2-yl)propanenitrile CAS Name: (2S)-3-[(1R)-3-methyl-1-phenylbutyl]imino-2-(4-methyl-2-thiazolyl)propanenitrile IUPAC Name: (2S)-3-[(1R)-3-methyl-1-phenylbutyl]imino-2-(4-methyl-1,3-thiazol-2-yl)propanenitrile Traditional Name: (2S)-3-[(1R)-3-methyl-1-phenyl-butyl]imino-2-(4-methylthiazol-2-yl)propionitrile Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C=NC(CC(C)C)C2=CC=CC=C2)C#N

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C=N[C@H](CC(C)C)C2=CC=CC=C2)C#N

InChI

InChI=1S/C18H21N3S/c1-13(2)9-17(15-7-5-4-6-8-15)20-11-16(10-19)18-21-14(3)12-22-18/h4-8,11-13,16-17H,9H2,1-3H3/t16-,17-/m1/s1