3-[4-methyl-5-(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-methyl-5-(3-nitro-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-methyl-5-(3-nitro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-methyl-5-[(3-nitro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-methyl-5-(3-nitro-4-oxopyrido[1,2-a]pyrimidin-2-yl)sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[(4-keto-3-nitro-pyrido[1,2-a]pyrimidin-2-yl)thio]-4-methyl-1,2,4-triazol-3-yl]propionamide Formula: C14H13N7O4S MolecularWeight: 375.36252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])CCC(=O)N

Isomeric SMILES

CN1C(=NN=C1SC2=C(C(=O)N3C=CC=CC3=N2)[N+](=O)[O-])CCC(=O)N

InChI

InChI=1S/C14H13N7O4S/c1-19-10(6-5-8(15)22)17-18-14(19)26-12-11(21(24)25)13(23)20-7-3-2-4-9(20)16-12/h2-4,7H,5-6H2,1H3,(H2,15,22)