4-[3-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propoxy]benzoate IUPAC Name: 4-[3-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C19H19N4O3S- MolecularWeight: 383.44416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2N)SCCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2N)SCCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C19H20N4O3S/c20-23-17(13-14-5-2-1-3-6-14)21-22-19(23)27-12-4-11-26-16-9-7-15(8-10-16)18(24)25/h1-3,5-10H,4,11-13,20H2,(H,24,25)/p-1