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

Systemtic Name: propan-2-yl 3-[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid isopropyl ester Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O3S/c1-4-13-27-21(17-9-6-5-7-10-17)25-26-23(27)31-15-20(28)24-19-12-8-11-18(14-19)22(29)30-16(2)3/h4-12,14,16H,1,13,15H2,2-3H3,(H,24,28)