4-[2-(3-azanyl-1,2,4-triazin-5-yl)-4-cyano-5-methylsulfanyl-thiophen-3-yl]benzoic acid

Systemtic Name: 4-[2-(3-azanyl-1,2,4-triazin-5-yl)-4-cyano-5-methylsulfanyl-thiophen-3-yl]benzoic acid Openeye Name: 4-[2-(3-amino-1,2,4-triazin-5-yl)-4-cyano-5-methylsulfanyl-3-thienyl]benzoic acid CAS Name: 4-[2-(3-amino-1,2,4-triazin-5-yl)-4-cyano-5-(methylthio)-3-thiophenyl]benzoic acid IUPAC Name: 4-[2-(3-amino-1,2,4-triazin-5-yl)-4-cyano-5-methylsulfanylthiophen-3-yl]benzoic acid Traditional Name: 4-[2-(3-amino-1,2,4-triazin-5-yl)-4-cyano-5-(methylthio)-3-thienyl]benzoic acid Formula: C16H11N5O2S2 MolecularWeight: 369.42084

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=C(S1)C2=CN=NC(=N2)N)C3=CC=C(C=C3)C(=O)O)C#N

Isomeric SMILES

CSC1=C(C(=C(S1)C2=CN=NC(=N2)N)C3=CC=C(C=C3)C(=O)O)C#N

InChI

InChI=1S/C16H11N5O2S2/c1-24-15-10(6-17)12(8-2-4-9(5-3-8)14(22)23)13(25-15)11-7-19-21-16(18)20-11/h2-5,7H,1H3,(H,22,23)(H2,18,20,21)