3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-5-(2-methyl-3-furyl)-1,2,4-triazole CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-5-(2-methyl-3-furanyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-5-(2-methylfuran-3-yl)-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-5-(2-methyl-3-furyl)-1,2,4-triazole Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=C(N(N=C3C)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2CC=C)SCC3=C(N(N=C3C)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20ClN5OS/c1-4-11-26-20(17-10-12-28-15(17)3)23-24-21(26)29-13-18-14(2)25-27(19(18)22)16-8-6-5-7-9-16/h4-10,12H,1,11,13H2,2-3H3