methyl 2-[[4-azanyl-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[4-azanyl-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-amino-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-amino-5-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-amino-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-amino-5-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H13N5O2S3 MolecularWeight: 367.46962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1N)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC(=O)CSC1=NN=C(N1N)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H13N5O2S3/c1-20-11(19)7-21-12-17-16-10(18(12)14)6-22-13-15-8-4-2-3-5-9(8)23-13/h2-5H,6-7,14H2,1H3