2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-thiophen-3-yl-1,2,3,4-tetrazole

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-thiophen-3-yl-1,2,3,4-tetrazole Openeye Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-(3-thienyl)tetrazole CAS Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-5-(3-thiophenyl)tetrazole IUPAC Name: 2-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-5-thiophen-3-yltetrazole Traditional Name: 2-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-5-(3-thienyl)tetrazole Formula: C22H18N6OS MolecularWeight: 414.48292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CN3N=C(N=N3)C4=CSC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CN3N=C(N=N3)C4=CSC=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H18N6OS/c1-29-20-9-7-16(8-10-20)21-18(13-27(24-21)19-5-3-2-4-6-19)14-28-25-22(23-26-28)17-11-12-30-15-17/h2-13,15H,14H2,1H3