4-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate

Systemtic Name: 4-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Openeye Name: 4-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate CAS Name: 4-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)thio]propoxy]benzoate IUPAC Name: 4-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propoxy]benzoate Traditional Name: 4-[3-[(5,6-dimethyl-1,2,4-triazin-3-yl)thio]propoxy]benzoate Formula: C15H16N3O3S- MolecularWeight: 318.37084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NC(=N1)SCCCOC2=CC=C(C=C2)C(=O)[O-])C

Isomeric SMILES

CC1=C(N=NC(=N1)SCCCOC2=CC=C(C=C2)C(=O)[O-])C

InChI

InChI=1S/C15H17N3O3S/c1-10-11(2)17-18-15(16-10)22-9-3-8-21-13-6-4-12(5-7-13)14(19)20/h4-7H,3,8-9H2,1-2H3,(H,19,20)/p-1