3-[(4-ethyl-5-piperidin-4-yl-1,3-thiazol-2-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-ethyl-5-piperidin-4-yl-1,3-thiazol-2-yl)methyl]benzenecarbonitrile Openeye Name: 3-[[4-ethyl-5-(4-piperidyl)thiazol-2-yl]methyl]benzonitrile CAS Name: 3-[[4-ethyl-5-(4-piperidinyl)-2-thiazolyl]methyl]benzonitrile IUPAC Name: 3-[(4-ethyl-5-piperidin-4-yl-1,3-thiazol-2-yl)methyl]benzonitrile Traditional Name: 3-[[4-ethyl-5-(4-piperidyl)thiazol-2-yl]methyl]benzonitrile Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=N1)CC2=CC=CC(=C2)C#N)C3CCNCC3

Isomeric SMILES

CCC1=C(SC(=N1)CC2=CC=CC(=C2)C#N)C3CCNCC3

InChI

InChI=1S/C18H21N3S/c1-2-16-18(15-6-8-20-9-7-15)22-17(21-16)11-13-4-3-5-14(10-13)12-19/h3-5,10,15,20H,2,6-9,11H2,1H3