1-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Systemtic Name: 1-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-(2-furylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-(2-furanylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-(furan-2-ylmethyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-(2-furfuryl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetone Formula: C17H17N3O3S MolecularWeight: 343.40018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C17H17N3O3S/c1-12(21)11-24-17-19-18-16(13-5-3-6-14(9-13)22-2)20(17)10-15-7-4-8-23-15/h3-9H,10-11H2,1-2H3