ethyl 4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NN(C(=N1)C2CC2)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O3S/c1-2-26-17(25)9-6-12-20-16(24)13-27-19-21-18(14-10-11-14)23(22-19)15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13H2,1H3,(H,20,24)