3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-benzyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole CAS Name: 3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-(phenylmethyl)-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-benzyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-benzyl-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,2,4-triazole Formula: C19H15F3N4O2S MolecularWeight: 420.40821

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H15F3N4O2S/c1-2-10-25-17(11-13-6-4-3-5-7-13)23-24-18(25)29-16-9-8-14(19(20,21)22)12-15(16)26(27)28/h2-9,12H,1,10-11H2