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

Systemtic Name: ethyl 2-[[5-(2-azanyl-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-allyl-5-(2-amino-4-methyl-thiazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(2-amino-4-methyl-5-thiazolyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-(2-amino-4-methyl-thiazol-5-yl)-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C13H17N5O2S2 MolecularWeight: 339.43638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC=C)C2=C(N=C(S2)N)C

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC=C)C2=C(N=C(S2)N)C

InChI

InChI=1S/C13H17N5O2S2/c1-4-6-18-11(10-8(3)15-12(14)22-10)16-17-13(18)21-7-9(19)20-5-2/h4H,1,5-7H2,2-3H3,(H2,14,15)