2-[3-(2-oxidanylideneazepan-3-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid

Systemtic Name: 2-[3-(2-oxidanylideneazepan-3-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Openeye Name: 2-[3-(2-oxoazepan-3-yl)sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoic acid CAS Name: 2-[3-[(2-oxo-3-azepanyl)thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid IUPAC Name: 2-[3-(2-oxoazepan-3-yl)sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoic acid Traditional Name: 2-[3-[(2-ketoazepan-3-yl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionic acid Formula: C15H18N4O3S2 MolecularWeight: 366.45842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C(=NN=C1SC2CCCCNC2=O)C3=CC=CS3

Isomeric SMILES

CC(C(=O)O)N1C(=NN=C1SC2CCCCNC2=O)C3=CC=CS3

InChI

InChI=1S/C15H18N4O3S2/c1-9(14(21)22)19-12(10-6-4-8-23-10)17-18-15(19)24-11-5-2-3-7-16-13(11)20/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,16,20)(H,21,22)