methyl 4-[5-(1-decylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-(1-decylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-(1-decylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-(1-decyl-4-pyrazolyl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(1-decylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-(1-decylpyrazol-4-yl)-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C=C(C=N1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCCCCCCCN1C=C(C=N1)C2=NN=C(S2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H30N4O2S/c1-3-4-5-6-7-8-9-10-15-27-17-20(16-24-27)22-26-25-21(30-22)18-11-13-19(14-12-18)23(28)29-2/h11-14,16-17H,3-10,15H2,1-2H3