4-[2-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate

Systemtic Name: 4-[2-[[4-azanyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[[4-amino-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[[4-amino-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[[4-amino-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzoate Formula: C16H15N4O3S2- MolecularWeight: 375.4453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2=NN=C(N2N)SCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CSC(=C1)CC2=NN=C(N2N)SCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C16H16N4O3S2/c17-20-14(10-13-2-1-8-24-13)18-19-16(20)25-9-7-23-12-5-3-11(4-6-12)15(21)22/h1-6,8H,7,9-10,17H2,(H,21,22)/p-1