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

Systemtic Name: 3-[3-[2-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-oxidanylidene-prop-1-ynyl]benzenecarbonitrile Openeye Name: 3-[3-(2-methyl-4-thiazol-2-yl-piperazin-1-yl)-3-oxo-prop-1-ynyl]benzonitrile CAS Name: 3-[3-[2-methyl-4-(2-thiazolyl)-1-piperazinyl]-3-oxoprop-1-ynyl]benzonitrile IUPAC Name: 3-[3-[2-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-oxoprop-1-ynyl]benzonitrile Traditional Name: 3-[3-keto-3-(2-methyl-4-thiazol-2-yl-piperazino)prop-1-ynyl]benzonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C#CC2=CC(=CC=C2)C#N)C3=NC=CS3

Isomeric SMILES

CC1CN(CCN1C(=O)C#CC2=CC(=CC=C2)C#N)C3=NC=CS3

InChI

InChI=1S/C18H16N4OS/c1-14-13-21(18-20-7-10-24-18)8-9-22(14)17(23)6-5-15-3-2-4-16(11-15)12-19/h2-4,7,10-11,14H,8-9,13H2,1H3