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

Systemtic Name: propan-2-yl 3-phenyl-3-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoylamino]propanoate Openeye Name: isopropyl 3-phenyl-3-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-phenyl-3-[[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]amino]propanoate Traditional Name: 3-phenyl-3-[[2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetyl]amino]propionic acid isopropyl ester Formula: C19H26N4O3S MolecularWeight: 390.49974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)NC(CC(=O)OC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C19H26N4O3S/c1-4-8-16-21-22-19(27)23(16)12-17(24)20-15(11-18(25)26-13(2)3)14-9-6-5-7-10-14/h5-7,9-10,13,15H,4,8,11-12H2,1-3H3,(H,20,24)(H,22,27)