methyl 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(4-methoxyphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C16H15N3O3S2 MolecularWeight: 361.4386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CC=CS3

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)OC)C3=CC=CS3

InChI

InChI=1S/C16H15N3O3S2/c1-21-12-7-5-11(6-8-12)19-15(13-4-3-9-23-13)17-18-16(19)24-10-14(20)22-2/h3-9H,10H2,1-2H3