4-[2-[2-(4-nitrophenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-[2-[2-(4-nitrophenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Openeye Name: 4-[2-[2-(4-nitrophenyl)sulfanylpropanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxamide CAS Name: 4-[2-[[2-[(4-nitrophenyl)thio]-1-oxopropyl]amino]-4-thiazolyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-[2-[2-(4-nitrophenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide Traditional Name: 4-[2-[2-[(4-nitrophenyl)thio]propanoylamino]thiazol-4-yl]-1H-pyrrole-2-carboxamide Formula: C17H15N5O4S2 MolecularWeight: 417.4621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CNC(=C2)C(=O)N)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=NC(=CS1)C2=CNC(=C2)C(=O)N)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O4S2/c1-9(28-12-4-2-11(3-5-12)22(25)26)16(24)21-17-20-14(8-27-17)10-6-13(15(18)23)19-7-10/h2-9,19H,1H3,(H2,18,23)(H,20,21,24)