4-[3-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 4-[3-[(4-azanyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 4-[3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid CAS Name: 4-[3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid IUPAC Name: 4-[3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 4-[3-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)thio]propoxy]benzoic acid Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2N)SCCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2N)SCCCOC3=CC=C(C=C3)C(=O)O

InChI

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