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

Systemtic Name: ethyl 4-[4-azanyl-5-[2-oxidanylidene-2-(thiophen-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-[2-oxo-2-(2-thienylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[[2-oxo-2-(thiophen-2-ylamino)ethyl]thio]-1,2,4-triazol-3-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-[2-oxo-2-(thiophen-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-[[2-keto-2-(2-thienylamino)ethyl]thio]-1,2,4-triazol-3-yl]benzoic acid ethyl ester Formula: C17H17N5O3S2 MolecularWeight: 403.47858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CS3

InChI

InChI=1S/C17H17N5O3S2/c1-2-25-16(24)12-7-5-11(6-8-12)15-20-21-17(22(15)18)27-10-13(23)19-14-4-3-9-26-14/h3-9H,2,10,18H2,1H3,(H,19,23)