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

Systemtic Name: 2-[3-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-oxidanylidene-prop-1-ynyl]benzenecarbonitrile Openeye Name: 2-[3-[4-(5-methylthiazol-2-yl)piperazin-1-yl]-3-oxo-prop-1-ynyl]benzonitrile CAS Name: 2-[3-[4-(5-methyl-2-thiazolyl)-1-piperazinyl]-3-oxoprop-1-ynyl]benzonitrile IUPAC Name: 2-[3-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-oxoprop-1-ynyl]benzonitrile Traditional Name: 2-[3-keto-3-[4-(5-methylthiazol-2-yl)piperazino]prop-1-ynyl]benzonitrile Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)N2CCN(CC2)C(=O)C#CC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CN=C(S1)N2CCN(CC2)C(=O)C#CC3=CC=CC=C3C#N

InChI

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