2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-[4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-1,3-thiazole

Systemtic Name: 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-[4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-1,3-thiazole Openeye Name: 4-[4-allyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]thiazole CAS Name: 2-[3-methyl-5-(trifluoromethyl)-1-pyrazolyl]-4-[4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylthio]-1,2,4-triazol-3-yl]thiazole IUPAC Name: 2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-4-[4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazol-3-yl]-1,3-thiazole Traditional Name: 4-[4-allyl-5-[[3-(trifluoromethyl)benzyl]thio]-1,2,4-triazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]thiazole Formula: C21H16F6N6S2 MolecularWeight: 530.512359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=NN=C(N3CC=C)SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=NN(C(=C1)C(F)(F)F)C2=NC(=CS2)C3=NN=C(N3CC=C)SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H16F6N6S2/c1-3-7-32-17(15-11-35-18(28-15)33-16(21(25,26)27)8-12(2)31-33)29-30-19(32)34-10-13-5-4-6-14(9-13)20(22,23)24/h3-6,8-9,11H,1,7,10H2,2H3