3-[3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-oxidanylidene-prop-1-ynyl]benzenecarbonitrile

Systemtic Name: 3-[3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-oxidanylidene-prop-1-ynyl]benzenecarbonitrile Openeye Name: 3-[3-[4-(4,5-dimethylthiazol-2-yl)piperazin-1-yl]-3-oxo-prop-1-ynyl]benzonitrile CAS Name: 3-[3-[4-(4,5-dimethyl-2-thiazolyl)-1-piperazinyl]-3-oxoprop-1-ynyl]benzonitrile IUPAC Name: 3-[3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-oxoprop-1-ynyl]benzonitrile Traditional Name: 3-[3-[4-(4,5-dimethylthiazol-2-yl)piperazino]-3-keto-prop-1-ynyl]benzonitrile Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N2CCN(CC2)C(=O)C#CC3=CC(=CC=C3)C#N)C

Isomeric SMILES

CC1=C(SC(=N1)N2CCN(CC2)C(=O)C#CC3=CC(=CC=C3)C#N)C

InChI

InChI=1S/C19H18N4OS/c1-14-15(2)25-19(21-14)23-10-8-22(9-11-23)18(24)7-6-16-4-3-5-17(12-16)13-20/h3-5,12H,8-11H2,1-2H3