N-(4-chloranyl-2-nitro-phenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-2-nitrophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]acetamide Formula: C15H13ClN6O3S MolecularWeight: 392.82012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=NC(=NN12)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C15H13ClN6O3S/c1-8-5-9(2)21-14(17-8)19-15(20-21)26-7-13(23)18-11-4-3-10(16)6-12(11)22(24)25/h3-6H,7H2,1-2H3,(H,18,23)