4-azanyl-3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Openeye Name: 3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]sulfanyl-4-amino-6-methyl-1,2,4-triazin-5-one CAS Name: 3-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]thio]-4-amino-6-methyl-1,2,4-triazin-5-one IUPAC Name: 3-[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]sulfanyl-4-amino-6-methyl-1,2,4-triazin-5-one Traditional Name: 3-[[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]thio]-4-amino-6-methyl-1,2,4-triazin-5-one Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(C(=O)N2N)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)CSC2=NN=C(C(=O)N2N)C

InChI

InChI=1S/C14H17N5O3S/c1-6-11(9(4)20)7(2)16-12(6)10(21)5-23-14-18-17-8(3)13(22)19(14)15/h16H,5,15H2,1-4H3