4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-[(2-methylthiazol-4-yl)methyl]piperazino]-3-nitro-benzonitrile Formula: C16H17N5O2S MolecularWeight: 343.40348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)CN2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O2S/c1-12-18-14(11-24-12)10-19-4-6-20(7-5-19)15-3-2-13(9-17)8-16(15)21(22)23/h2-3,8,11H,4-7,10H2,1H3