3-[3-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate

Systemtic Name: 3-[3-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate Openeye Name: 3-[3-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoate CAS Name: 3-[3-[[2-oxo-2-[3-(phenylthio)propylamino]ethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate IUPAC Name: 3-[3-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate Traditional Name: 3-[3-[[2-keto-2-[3-(phenylthio)propylamino]ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionate Formula: C20H21N4O3S3- MolecularWeight: 461.60074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCNC(=O)CSC2=NN=C(N2CCC(=O)[O-])C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)SCCCNC(=O)CSC2=NN=C(N2CCC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H22N4O3S3/c25-17(21-10-5-13-28-15-6-2-1-3-7-15)14-30-20-23-22-19(16-8-4-12-29-16)24(20)11-9-18(26)27/h1-4,6-8,12H,5,9-11,13-14H2,(H,21,25)(H,26,27)/p-1