ethyl (E)-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-3-thiophen-2-yl-prop-2-enoate

Systemtic Name: ethyl (E)-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-3-thiophen-2-yl-prop-2-enoate Openeye Name: ethyl (E)-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-3-(2-thienyl)prop-2-enoate CAS Name: (E)-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-3-thiophen-2-yl-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-2-[3-(4-nitrophenyl)-1H-1,2,4-triazol-5-yl]-3-(2-thienyl)acrylic acid ethyl ester Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=CS1)C2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC=CS1)/C2=NC(=NN2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c1-2-25-17(22)14(10-13-4-3-9-26-13)16-18-15(19-20-16)11-5-7-12(8-6-11)21(23)24/h3-10H,2H2,1H3,(H,18,19,20)/b14-10+