ethyl 2-[[5-azanyl-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-azanyl-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-amino-4-(2-anilino-2-oxo-ethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-amino-4-(2-anilino-2-oxoethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-amino-4-(2-anilino-2-oxoethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-amino-4-(2-anilino-2-keto-ethyl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC(=O)NC2=CC=CC=C2)N

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC(=O)NC2=CC=CC=C2)N

InChI

InChI=1S/C14H17N5O3S/c1-2-22-12(21)9-23-14-18-17-13(15)19(14)8-11(20)16-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H2,15,17)(H,16,20)