4-nitro-N-[3-oxidanylidene-3-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]propyl]benzamide Openeye Name: 4-nitro-N-[3-oxo-3-[[2-(2-thienylmethyl)pyrazol-3-yl]amino]propyl]benzamide CAS Name: 4-nitro-N-[3-oxo-3-[[2-(thiophen-2-ylmethyl)-3-pyrazolyl]amino]propyl]benzamide IUPAC Name: 4-nitro-N-[3-oxo-3-[[2-(thiophen-2-ylmethyl)pyrazol-3-yl]amino]propyl]benzamide Traditional Name: N-[3-keto-3-[[2-(2-thenyl)pyrazol-3-yl]amino]propyl]-4-nitro-benzamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CN2C(=CC=N2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CN2C(=CC=N2)NC(=O)CCNC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O4S/c24-17(21-16-7-10-20-22(16)12-15-2-1-11-28-15)8-9-19-18(25)13-3-5-14(6-4-13)23(26)27/h1-7,10-11H,8-9,12H2,(H,19,25)(H,21,24)