ethyl 1-methyl-3-[[4-[2-(5-oxidanylidene-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]methyl-propyl-amino]pyrazole-4-carboxylate

Systemtic Name: ethyl 1-methyl-3-[[4-[2-(5-oxidanylidene-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]methyl-propyl-amino]pyrazole-4-carboxylate Openeye Name: ethyl 1-methyl-3-[[4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]methyl-propyl-amino]pyrazole-4-carboxylate CAS Name: 1-methyl-3-[[4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]methyl-propylamino]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-3-[[4-[2-(5-oxo-2H-1,2,4-thiadiazol-3-yl)phenyl]phenyl]methyl-propylamino]pyrazole-4-carboxylate Traditional Name: 3-[[4-[2-(5-keto-2H-1,2,4-thiadiazol-3-yl)phenyl]benzyl]-propyl-amino]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=O)SN3)C4=NN(C=C4C(=O)OCC)C

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NC(=O)SN3)C4=NN(C=C4C(=O)OCC)C

InChI

InChI=1S/C25H27N5O3S/c1-4-14-30(23-21(16-29(3)27-23)24(31)33-5-2)15-17-10-12-18(13-11-17)19-8-6-7-9-20(19)22-26-25(32)34-28-22/h6-13,16H,4-5,14-15H2,1-3H3,(H,26,28,32)