2-(7-chloranyl-4-oxidanylidene-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(7-chloro-4-oxo-pyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(7-chloro-4-oxo-2-pyrido[1,2-a][1,3,5]triazinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(7-chloro-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(7-chloro-4-keto-pyrido[1,2-a][1,3,5]triazin-2-yl)thio]-N-phenethyl-acetamide Formula: C17H15ClN4O2S MolecularWeight: 374.8446

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=O)N3C=C(C=CC3=N2)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC(=O)N3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C17H15ClN4O2S/c18-13-6-7-14-20-16(21-17(24)22(14)10-13)25-11-15(23)19-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,19,23)