methyl 2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C12H13N3O2S2 MolecularWeight: 295.38052

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC=C)C2=CC=CS2

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC=C)C2=CC=CS2

InChI

InChI=1S/C12H13N3O2S2/c1-3-6-15-11(9-5-4-7-18-9)13-14-12(15)19-8-10(16)17-2/h3-5,7H,1,6,8H2,2H3