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

Systemtic Name: 4-azanyl-3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[2-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-[[2-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[2-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[2-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-one Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NN=C(C(=O)N2N)C

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CSC2=NN=C(C(=O)N2N)C

InChI

InChI=1S/C17H25N5O2S/c1-10(2)6-7-21-11(3)8-14(13(21)5)15(23)9-25-17-20-19-12(4)16(24)22(17)18/h8,10H,6-7,9,18H2,1-5H3