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

Systemtic Name: 1-cyclopropyl-5-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-cyclopropyl-5-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylsulfanyl]tetrazole CAS Name: 1-cyclopropyl-5-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methylthio]tetrazole IUPAC Name: 1-cyclopropyl-5-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylsulfanyl]tetrazole Traditional Name: 1-cyclopropyl-5-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylthio]tetrazole Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=NN3C4CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CSC3=NN=NN3C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C21H20N6OS/c1-28-19-11-7-15(8-12-19)20-16(13-26(23-20)17-5-3-2-4-6-17)14-29-21-22-24-25-27(21)18-9-10-18/h2-8,11-13,18H,9-10,14H2,1H3