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

Systemtic Name: methyl 2-[[5-azanyl-4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C13H15N5O3S MolecularWeight: 321.3549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O3S/c1-21-11(20)8-22-13-17-16-12(14)18(13)7-10(19)15-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,14,16)(H,15,19)