methyl 4-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C15H14N4O2S2 MolecularWeight: 346.42726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)C3=CC=CS3

InChI

InChI=1S/C15H14N4O2S2/c1-21-14(20)11-6-4-10(5-7-11)9-23-15-18-17-13(19(15)16)12-3-2-8-22-12/h2-8H,9,16H2,1H3