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

Systemtic Name: methyl 3-[[4-azanyl-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-amino-5-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[(4-amino-5-p-phenetyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C19H20N4O3S MolecularWeight: 384.4521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C19H20N4O3S/c1-3-26-16-9-7-14(8-10-16)17-21-22-19(23(17)20)27-12-13-5-4-6-15(11-13)18(24)25-2/h4-11H,3,12,20H2,1-2H3