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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C22H15N5O3S2 MolecularWeight: 461.5162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O3S2/c1-26-14-23-25-22(26)32-20-10-8-16(13-19(20)27(29)30)21(28)24-17-5-2-4-15(12-17)7-9-18-6-3-11-31-18/h2-6,8,10-14H,1H3,(H,24,28)