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

Systemtic Name: methyl 4-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C19H26N4O2S MolecularWeight: 374.50034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)CCC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=C(N2N)CCC3CCCCC3

InChI

InChI=1S/C19H26N4O2S/c1-25-18(24)16-10-7-15(8-11-16)13-26-19-22-21-17(23(19)20)12-9-14-5-3-2-4-6-14/h7-8,10-11,14H,2-6,9,12-13,20H2,1H3