5-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole

Systemtic Name: 5-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-isopropyl-1,2,4-oxadiazole CAS Name: 5-[[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3-propan-2-yl-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole Traditional Name: 3-isopropyl-5-[[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,4-oxadiazole Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=NO3)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-4-28-18-12-10-17(11-13-18)27-21(16-8-6-5-7-9-16)24-25-22(27)30-14-19-23-20(15(2)3)26-29-19/h5-13,15H,4,14H2,1-3H3