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

Systemtic Name: 4-azanyl-3-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-[[2-[1-(4-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[2-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[[2-[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-one Formula: C18H18BrN5O2S MolecularWeight: 448.33682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSC3=NN=C(C(=O)N3N)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C(=O)CSC3=NN=C(C(=O)N3N)C

InChI

InChI=1S/C18H18BrN5O2S/c1-10-8-15(12(3)23(10)14-6-4-13(19)5-7-14)16(25)9-27-18-22-21-11(2)17(26)24(18)20/h4-8H,9,20H2,1-3H3