ethyl 4-[4-azanyl-5-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]benzoate

Systemtic Name: ethyl 4-[4-azanyl-5-[2-oxidanylidene-2-(pyridin-3-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-[2-oxo-2-(3-pyridylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[[2-oxo-2-(3-pyridinylamino)ethyl]thio]-1,2,4-triazol-3-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-[2-oxo-2-(pyridin-3-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-[[2-keto-2-(3-pyridylamino)ethyl]thio]-1,2,4-triazol-3-yl]benzoic acid ethyl ester Formula: C18H18N6O3S MolecularWeight: 398.43892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CN=CC=C3

InChI

InChI=1S/C18H18N6O3S/c1-2-27-17(26)13-7-5-12(6-8-13)16-22-23-18(24(16)19)28-11-15(25)21-14-4-3-9-20-10-14/h3-10H,2,11,19H2,1H3,(H,21,25)