ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-allyl-5-(1,3-benzothiazol-2-ylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(1,3-benzothiazol-2-ylthio)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(1,3-benzothiazol-2-ylthio)methyl]-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C17H18N4O2S3 MolecularWeight: 406.54542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=C(N1CC=C)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)CSC1=NN=C(N1CC=C)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H18N4O2S3/c1-3-9-21-14(19-20-16(21)24-11-15(22)23-4-2)10-25-17-18-12-7-5-6-8-13(12)26-17/h3,5-8H,1,4,9-11H2,2H3