N-[2-(4-methyl-5-oxidanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-4-nitro-benzamide

Systemtic Name: N-[2-(4-methyl-5-oxidanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-4-nitro-benzamide Openeye Name: N-[2-[4-methyl-5-oxo-3-(2-thienyl)-1,2,4-triazol-1-yl]ethyl]-4-nitro-benzamide CAS Name: N-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-4-nitrobenzamide IUPAC Name: N-[2-(4-methyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]-4-nitrobenzamide Traditional Name: N-[2-[5-keto-4-methyl-3-(2-thienyl)-1,2,4-triazol-1-yl]ethyl]-4-nitro-benzamide Formula: C16H15N5O4S MolecularWeight: 373.3864

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN1C(=NN(C1=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C16H15N5O4S/c1-19-14(13-3-2-10-26-13)18-20(16(19)23)9-8-17-15(22)11-4-6-12(7-5-11)21(24)25/h2-7,10H,8-9H2,1H3,(H,17,22)