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

Systemtic Name: ethyl 6-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]thio]nicotinic acid ethyl ester Formula: C17H16N4O2S2 MolecularWeight: 372.46454

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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S2/c1-2-23-15(22)13-8-9-14(18-11-13)24-17-21-20-16(25-17)19-10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,19,20)