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

Systemtic Name: ethyl 4-[2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)CCC3=CC=CC=C3

InChI

InChI=1S/C24H26N4O3S/c1-3-16-28-21(15-10-18-8-6-5-7-9-18)26-27-24(28)32-17-22(29)25-20-13-11-19(12-14-20)23(30)31-4-2/h3,5-9,11-14H,1,4,10,15-17H2,2H3,(H,25,29)