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

Systemtic Name: 4-[3-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C15H17N4O3S- MolecularWeight: 333.38548

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2N)SCCCOC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1CC1C2=NN=C(N2N)SCCCOC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H18N4O3S/c16-19-13(10-2-3-10)17-18-15(19)23-9-1-8-22-12-6-4-11(5-7-12)14(20)21/h4-7,10H,1-3,8-9,16H2,(H,20,21)/p-1