propan-2-yl 3-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[3-[3-(4-ethoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-oxopropyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-[3-(4-ethoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoylamino]-3-phenylpropanoate Traditional Name: 3-phenyl-3-[3-(3-p-phenetyl-5-thioxo-1H-1,2,4-triazol-4-yl)propanoylamino]propionic acid isopropyl ester Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NC(CC(=O)OC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H30N4O4S/c1-4-32-20-12-10-19(11-13-20)24-27-28-25(34)29(24)15-14-22(30)26-21(16-23(31)33-17(2)3)18-8-6-5-7-9-18/h5-13,17,21H,4,14-16H2,1-3H3,(H,26,30)(H,28,34)