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

Systemtic Name: 4-[2-[[4-azanyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethoxy]benzoate Openeye Name: 4-[2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate CAS Name: 4-[2-[[4-amino-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethoxy]benzoate IUPAC Name: 4-[2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoate Traditional Name: 4-[2-[(4-amino-5-benzyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoate Formula: C18H17N4O3S- MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c19-22-16(12-13-4-2-1-3-5-13)20-21-18(22)26-11-10-25-15-8-6-14(7-9-15)17(23)24/h1-9H,10-12,19H2,(H,23,24)/p-1