2-(4-methoxyphenyl)-1-[5-[(3-nitrophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 2-(4-methoxyphenyl)-1-[5-[(3-nitrophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-(4-methoxyphenyl)-1-[5-[(3-nitrophenyl)methylamino]-3-(2-thienyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-(4-methoxyphenyl)-1-[5-[(3-nitrophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-(4-methoxyphenyl)-1-[5-[(3-nitrophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-(4-methoxyphenyl)-1-[5-[(3-nitrobenzyl)amino]-3-(2-thienyl)-1,2,4-triazol-1-yl]ethanone Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CS3)NCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2C(=NC(=N2)C3=CC=CS3)NCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O4S/c1-31-18-9-7-15(8-10-18)13-20(28)26-22(24-21(25-26)19-6-3-11-32-19)23-14-16-4-2-5-17(12-16)27(29)30/h2-12H,13-14H2,1H3,(H,23,24,25)