3-[3-[(4-aminocarbonylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate

Systemtic Name: 3-[3-[(4-aminocarbonylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate Openeye Name: 3-[3-[(4-carbamoylphenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]propanoate CAS Name: 3-[3-[(4-carbamoylphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate IUPAC Name: 3-[3-[(4-carbamoylphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanoate Traditional Name: 3-[3-[(4-carbamoylbenzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionate Formula: C17H15N4O3S2- MolecularWeight: 387.456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NN=C(N2CCC(=O)[O-])SCC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CSC(=C1)C2=NN=C(N2CCC(=O)[O-])SCC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C17H16N4O3S2/c18-15(24)12-5-3-11(4-6-12)10-26-17-20-19-16(13-2-1-9-25-13)21(17)8-7-14(22)23/h1-6,9H,7-8,10H2,(H2,18,24)(H,22,23)/p-1