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

Systemtic Name: methyl 4-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H22N4O3S MolecularWeight: 374.45728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O3S/c1-25-16(24)8-5-11-19-15(23)12-26-18-20-17(13-9-10-13)22(21-18)14-6-3-2-4-7-14/h2-4,6-7,13H,5,8-12H2,1H3,(H,19,23)