3-[3-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxidanylidene-propyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate

Systemtic Name: 3-[3-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxidanylidene-propyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate Openeye Name: 3-[3-[3-(indan-5-ylamino)-3-oxo-propyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoate CAS Name: 3-[3-[[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate IUPAC Name: 3-[3-[3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxopropyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate Traditional Name: 3-[3-[[3-(indan-5-ylamino)-3-keto-propyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionate Formula: C21H21N4O3S2- MolecularWeight: 441.54644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)CCSC3=NN=C(N3CCC(=O)[O-])C4=CC=CS4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)CCSC3=NN=C(N3CCC(=O)[O-])C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S2/c26-18(22-16-7-6-14-3-1-4-15(14)13-16)9-12-30-21-24-23-20(17-5-2-11-29-17)25(21)10-8-19(27)28/h2,5-7,11,13H,1,3-4,8-10,12H2,(H,22,26)(H,27,28)/p-1