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

Systemtic Name: 4-[4-[(4-methyl-2-oxidanylidene-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitro-benzenecarbonitrile Openeye Name: 4-[4-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitro-benzonitrile CAS Name: 4-[4-[(4-methyl-2-oxo-3H-thiazol-5-yl)sulfonyl]-1-piperazinyl]-3-nitrobenzonitrile IUPAC Name: 4-[4-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl]piperazin-1-yl]-3-nitrobenzonitrile Traditional Name: 4-[4-[(2-keto-4-methyl-4-thiazolin-5-yl)sulfonyl]piperazino]-3-nitro-benzonitrile Formula: C15H15N5O5S2 MolecularWeight: 409.4401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)N1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=O)N1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C15H15N5O5S2/c1-10-14(26-15(21)17-10)27(24,25)19-6-4-18(5-7-19)12-3-2-11(9-16)8-13(12)20(22)23/h2-3,8H,4-7H2,1H3,(H,17,21)