5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-pyrrol-1-ylphenyl)-1,2,4-oxadiazole

Systemtic Name: 5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-pyrrol-1-ylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-pyrrol-1-ylphenyl)-1,2,4-oxadiazole CAS Name: 5-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-[3-(1-pyrrolyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-3-(3-pyrrol-1-ylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-3-(3-pyrrol-1-ylphenyl)-1,2,4-oxadiazole Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=NC(=NO2)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=NC(=NO2)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C19H20N6OS/c1-19(2,3)17-21-18(23-22-17)27-12-15-20-16(24-26-15)13-7-6-8-14(11-13)25-9-4-5-10-25/h4-11H,12H2,1-3H3,(H,21,22,23)