3-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole

Systemtic Name: 3-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 3-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-4-(tetrahydrofuran-2-ylmethyl)-5-(2-thienyl)-1,2,4-triazole CAS Name: 3-[[4-nitro-3-(trifluoromethyl)phenyl]thio]-4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 3-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-4-(oxolan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 3-[[4-nitro-3-(trifluoromethyl)phenyl]thio]-4-(tetrahydrofurfuryl)-5-(2-thienyl)-1,2,4-triazole Formula: C18H15F3N4O3S2 MolecularWeight: 456.46191

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=NN=C2SC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1CC(OC1)CN2C(=NN=C2SC3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C18H15F3N4O3S2/c19-18(20,21)13-9-12(5-6-14(13)25(26)27)30-17-23-22-16(15-4-2-8-29-15)24(17)10-11-3-1-7-28-11/h2,4-6,8-9,11H,1,3,7,10H2