2-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]ethanoic acid

Systemtic Name: 2-[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]ethanoic acid Openeye Name: 2-[1-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid CAS Name: 2-[1-[[2-(cyclohexylamino)-2-oxoethyl]thio]-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid IUPAC Name: 2-[1-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid Traditional Name: 2-[1-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-[1,2,4]triazolo[3,4-b]benzimidazol-4-yl]acetic acid Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C18H21N5O3S/c24-15(19-12-6-2-1-3-7-12)11-27-18-21-20-17-22(10-16(25)26)13-8-4-5-9-14(13)23(17)18/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,19,24)(H,25,26)