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

Systemtic Name: methyl 4-[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[4-allyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CS3

InChI

InChI=1S/C19H18N4O3S2/c1-3-10-23-17(15-5-4-11-27-15)21-22-19(23)28-12-16(24)20-14-8-6-13(7-9-14)18(25)26-2/h3-9,11H,1,10,12H2,2H3,(H,20,24)