4-(3-methoxypropyl)-3-(phenylmethylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole

Systemtic Name: 4-(3-methoxypropyl)-3-(phenylmethylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(3-isopropoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazole CAS Name: 4-(3-methoxypropyl)-3-(phenylmethylthio)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(3-methoxypropyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3-isopropoxyphenyl)-4-(3-methoxypropyl)-1,2,4-triazole Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CCCOC)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CCCOC)SCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-17(2)27-20-12-7-11-19(15-20)21-23-24-22(25(21)13-8-14-26-3)28-16-18-9-5-4-6-10-18/h4-7,9-12,15,17H,8,13-14,16H2,1-3H3