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

Systemtic Name: ethyl 6-[[5-(3-azanyl-3-oxidanylidene-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 6-[[5-(3-amino-3-oxo-propyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate CAS Name: 6-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(3-amino-3-oxopropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Traditional Name: 6-[[5-(3-amino-3-keto-propyl)-4-methyl-1,2,4-triazol-3-yl]thio]nicotinic acid ethyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C)CCC(=O)N

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=NN=C(N2C)CCC(=O)N

InChI

InChI=1S/C14H17N5O3S/c1-3-22-13(21)9-4-7-12(16-8-9)23-14-18-17-11(19(14)2)6-5-10(15)20/h4,7-8H,3,5-6H2,1-2H3,(H2,15,20)