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

Systemtic Name: 4-[3-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]propoxy]benzoate Formula: C15H19N4O3S- MolecularWeight: 335.40136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCCCOC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCCCOC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C15H20N4O3S/c1-10(2)13-17-18-15(19(13)16)23-9-3-8-22-12-6-4-11(5-7-12)14(20)21/h4-7,10H,3,8-9,16H2,1-2H3,(H,20,21)/p-1