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

Systemtic Name: methyl 4-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C15H20N4O2S MolecularWeight: 320.4099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H20N4O2S/c1-3-4-5-13-17-18-15(19(13)16)22-10-11-6-8-12(9-7-11)14(20)21-2/h6-9H,3-5,10,16H2,1-2H3