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

Systemtic Name: methyl 4-[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[[4-cyclopropyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]butyric acid methyl ester Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NN=C(N1C2CC2)C3=CC=NC=C3

InChI

InChI=1S/C17H21N5O3S/c1-25-15(24)3-2-8-19-14(23)11-26-17-21-20-16(22(17)13-4-5-13)12-6-9-18-10-7-12/h6-7,9-10,13H,2-5,8,11H2,1H3,(H,19,23)