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

Systemtic Name: 2-methoxy-1-[5-[(3-nitrophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone Openeye Name: 2-methoxy-1-[5-[(3-nitrophenyl)methylamino]-3-(2-thienyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 2-methoxy-1-[5-[(3-nitrophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone IUPAC Name: 2-methoxy-1-[5-[(3-nitrophenyl)methylamino]-3-thiophen-2-yl-1,2,4-triazol-1-yl]ethanone Traditional Name: 2-methoxy-1-[5-[(3-nitrobenzyl)amino]-3-(2-thienyl)-1,2,4-triazol-1-yl]ethanone Formula: C16H15N5O4S MolecularWeight: 373.3864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1C(=NC(=N1)C2=CC=CS2)NCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCC(=O)N1C(=NC(=N1)C2=CC=CS2)NCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

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