4-(4-ethoxyphenyl)-3-propylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole

Systemtic Name: 4-(4-ethoxyphenyl)-3-propylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Openeye Name: 4-(4-ethoxyphenyl)-3-propylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole CAS Name: 4-(4-ethoxyphenyl)-3-(propylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole IUPAC Name: 4-(4-ethoxyphenyl)-3-propylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Traditional Name: 4-p-phenetyl-3-(propylthio)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=C(C=C2)OCC)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=C(C=C2)OCC)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H27N3O4S/c1-6-12-30-22-24-23-21(25(22)16-8-10-17(11-9-16)29-7-2)15-13-18(26-3)20(28-5)19(14-15)27-4/h8-11,13-14H,6-7,12H2,1-5H3