ethyl 6-[[2-azanyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]carbonylamino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[2-azanyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]carbonylamino]pyridine-3-carboxylate Openeye Name: ethyl 6-[[2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzoyl]amino]pyridine-3-carboxylate CAS Name: 6-[[[2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)thio]phenyl]-oxomethyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]benzoyl]amino]pyridine-3-carboxylate Traditional Name: 6-[[2-amino-5-[(4-methyl-1,2,4-triazol-3-yl)thio]benzoyl]amino]nicotinic acid ethyl ester Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)NC(=O)C2=C(C=CC(=C2)SC3=NN=CN3C)N

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)NC(=O)C2=C(C=CC(=C2)SC3=NN=CN3C)N

InChI

InChI=1S/C18H18N6O3S/c1-3-27-17(26)11-4-7-15(20-9-11)22-16(25)13-8-12(5-6-14(13)19)28-18-23-21-10-24(18)2/h4-10H,3,19H2,1-2H3,(H,20,22,25)