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

Systemtic Name: (1-phenylpyrazol-4-yl)methyl (Z)-2-(5-phenyl-1,2,3,4-tetrazol-1-yl)-3-thiophen-2-yl-prop-2-enoate Openeye Name: (1-phenylpyrazol-4-yl)methyl (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 (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl (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 (1-phenylpyrazol-4-yl)methyl ester Formula: C24H18N6O2S MolecularWeight: 454.50372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=NN2C(=CC3=CC=CS3)C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=NN2/C(=C\C3=CC=CS3)/C(=O)OCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H18N6O2S/c31-24(32-17-18-15-25-29(16-18)20-10-5-2-6-11-20)22(14-21-12-7-13-33-21)30-23(26-27-28-30)19-8-3-1-4-9-19/h1-16H,17H2/b22-14-