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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)N=CC(C#N)C2=NC(=CS2)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)N=CC(C#N)C2=NC(=CS2)C

InChI

InChI=1S/C17H19N3S/c1-3-7-16(14-8-5-4-6-9-14)19-11-15(10-18)17-20-13(2)12-21-17/h4-6,8-9,11-12,15-16H,3,7H2,1-2H3/t15?,16-/m1/s1