(Z)-N-(2-methyl-3-nitro-phenyl)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (Z)-N-(2-methyl-3-nitro-phenyl)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enamide Openeye Name: (Z)-N-(2-methyl-3-nitro-phenyl)-2-(5-phenyltetrazol-1-yl)-3-(2-thienyl)prop-2-enamide CAS Name: (Z)-N-(2-methyl-3-nitrophenyl)-2-(5-phenyl-1-tetrazolyl)-3-thiophen-2-yl-2-propenamide IUPAC Name: (Z)-N-(2-methyl-3-nitrophenyl)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enamide Traditional Name: (Z)-N-(2-methyl-3-nitro-phenyl)-2-(5-phenyltetrazol-1-yl)-3-(2-thienyl)acrylamide Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C(=CC2=CC=CS2)N3C(=NN=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)/C(=C/C2=CC=CS2)/N3C(=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N6O3S/c1-14-17(10-5-11-18(14)27(29)30)22-21(28)19(13-16-9-6-12-31-16)26-20(23-24-25-26)15-7-3-2-4-8-15/h2-13H,1H3,(H,22,28)/b19-13-