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

Systemtic Name: 4-(2-methoxyethyl)-3-(phenylmethylsulfanyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole Openeye Name: 3-benzylsulfanyl-5-(3-isopropoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole CAS Name: 4-(2-methoxyethyl)-3-(phenylmethylthio)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole IUPAC Name: 3-benzylsulfanyl-4-(2-methoxyethyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-triazole Traditional Name: 3-(benzylthio)-5-(3-isopropoxyphenyl)-4-(2-methoxyethyl)-1,2,4-triazole Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CCOC)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NN=C(N2CCOC)SCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-16(2)26-19-11-7-10-18(14-19)20-22-23-21(24(20)12-13-25-3)27-15-17-8-5-4-6-9-17/h4-11,14,16H,12-13,15H2,1-3H3