ethyl 6-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-[(4-methoxyphenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-(p-anisylamino)-1,3,4-thiadiazol-2-yl]thio]nicotinic acid ethyl ester Formula: C18H18N4O3S2 MolecularWeight: 402.49052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(S2)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(S2)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C18H18N4O3S2/c1-3-25-16(23)13-6-9-15(19-11-13)26-18-22-21-17(27-18)20-10-12-4-7-14(24-2)8-5-12/h4-9,11H,3,10H2,1-2H3,(H,20,21)