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

Systemtic Name: 4-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[[2-(4-methoxyphenyl)-4-thiazolyl]methyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-[[2-(4-methoxyphenyl)thiazol-4-yl]methyl]piperazino]-3-nitro-benzonitrile Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)C4=C(C=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)C4=C(C=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3S/c1-30-19-5-3-17(4-6-19)22-24-18(15-31-22)14-25-8-10-26(11-9-25)20-7-2-16(13-23)12-21(20)27(28)29/h2-7,12,15H,8-11,14H2,1H3