3-(2-methoxyphenyl)-4-prop-2-enyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(2-methoxyphenyl)-4-prop-2-enyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-allyl-3-(2-methoxyphenyl)-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-(2-methoxyphenyl)-4-prop-2-enyl-5-[[4-(1-pyrazolyl)phenyl]methylthio]-1,2,4-triazole IUPAC Name: 3-(2-methoxyphenyl)-4-prop-2-enyl-5-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-allyl-3-(2-methoxyphenyl)-5-[(4-pyrazol-1-ylbenzyl)thio]-1,2,4-triazole Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H21N5OS/c1-3-14-26-21(19-7-4-5-8-20(19)28-2)24-25-22(26)29-16-17-9-11-18(12-10-17)27-15-6-13-23-27/h3-13,15H,1,14,16H2,2H3