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

Systemtic Name: 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-[(2-methylthiazol-4-yl)methyl]piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(2-methyl-4-thiazolyl)methyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-[(2-methylthiazol-4-yl)methyl]piperazino]-5-nitro-benzonitrile Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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