3-(4-tert-butylphenyl)-4-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-methyl-5-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-methyl-5-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-1,2,4-triazole Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SC=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)S/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3S/c1-19(2,3)14-7-5-13(6-8-14)17-20-21-18(22(17)4)27-12-11-15-9-10-16(26-15)23(24)25/h5-12H,1-4H3/b12-11+