4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazole Openeye Name: 4-(2-furylmethyl)-3-(3-methoxyphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazole CAS Name: 4-(2-furanylmethyl)-3-(3-methoxyphenyl)-5-(3-phenoxypropylthio)-1,2,4-triazole IUPAC Name: 4-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-5-(3-phenoxypropylsulfanyl)-1,2,4-triazole Traditional Name: 4-(2-furfuryl)-3-(3-methoxyphenyl)-5-(3-phenoxypropylthio)-1,2,4-triazole Formula: C23H23N3O3S MolecularWeight: 421.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCCCOC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2CC3=CC=CO3)SCCCOC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O3S/c1-27-20-11-5-8-18(16-20)22-24-25-23(26(22)17-21-12-6-13-29-21)30-15-7-14-28-19-9-3-2-4-10-19/h2-6,8-13,16H,7,14-15,17H2,1H3