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

Systemtic Name: (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-4-phenylbutan-2-yl]imino-propanenitrile Openeye Name: (2S)-3-[(1R)-1-methyl-3-phenyl-propyl]imino-2-(4-methylthiazol-2-yl)propanenitrile CAS Name: (2S)-2-(4-methyl-2-thiazolyl)-3-[(2R)-4-phenylbutan-2-yl]iminopropanenitrile IUPAC Name: (2S)-2-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-4-phenylbutan-2-yl]iminopropanenitrile Traditional Name: (2S)-3-[(1R)-1-methyl-3-phenyl-propyl]imino-2-(4-methylthiazol-2-yl)propionitrile Formula: C17H19N3S MolecularWeight: 297.41786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C=NC(C)CCC2=CC=CC=C2)C#N

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C=N[C@H](C)CCC2=CC=CC=C2)C#N

InChI

InChI=1S/C17H19N3S/c1-13(8-9-15-6-4-3-5-7-15)19-11-16(10-18)17-20-14(2)12-21-17/h3-7,11-13,16H,8-9H2,1-2H3/t13-,16-/m1/s1