(4-methylphenyl) (Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoate

Systemtic Name: (4-methylphenyl) (Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoate Openeye Name: p-tolyl (Z)-2-(5-phenyltetrazol-1-yl)-3-(2-thienyl)prop-2-enoate CAS Name: (Z)-2-(5-phenyl-1-tetrazolyl)-3-thiophen-2-yl-2-propenoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) (Z)-2-(5-phenyltetrazol-1-yl)-3-thiophen-2-ylprop-2-enoate Traditional Name: (Z)-2-(5-phenyltetrazol-1-yl)-3-(2-thienyl)acrylic acid p-tolyl ester Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C(=CC2=CC=CS2)N3C(=NN=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)/C(=C/C2=CC=CS2)/N3C(=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N4O2S/c1-15-9-11-17(12-10-15)27-21(26)19(14-18-8-5-13-28-18)25-20(22-23-24-25)16-6-3-2-4-7-16/h2-14H,1H3/b19-14-