ethyl 4-[[4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]amino]benzoate CAS Name: 4-[[oxo-[4-[[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoyl]amino]benzoate Traditional Name: 4-[[4-[[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoyl]amino]benzoic acid ethyl ester Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3=NN=C(N3CC=C)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O3S/c1-3-18-32-25(21-8-6-5-7-9-21)30-31-28(32)36-19-20-10-12-22(13-11-20)26(33)29-24-16-14-23(15-17-24)27(34)35-4-2/h3,5-17H,1,4,18-19H2,2H3,(H,29,33)