3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: 3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: 3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]-4-(1,2,4-triazol-1-yl)benzamide Formula: C21H13N5O3S MolecularWeight: 415.42462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C#CC4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-])C#CC4=CC=CS4

InChI

InChI=1S/C21H13N5O3S/c27-21(16-7-9-19(20(12-16)26(28)29)25-14-22-13-23-25)24-17-4-1-3-15(11-17)6-8-18-5-2-10-30-18/h1-5,7,9-14H,(H,24,27)