2-[3-chloranyl-5-methyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-4,5-dihydro-1,2,4-triazin-3-one

Systemtic Name: 2-[3-chloranyl-5-methyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-4,5-dihydro-1,2,4-triazin-3-one Openeye Name: 2-[3-chloro-5-methyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]-4,5-dihydro-1,2,4-triazin-3-one CAS Name: 2-[3-chloro-5-methyl-4-[(1-methyl-2-imidazolyl)thio]phenyl]-4,5-dihydro-1,2,4-triazin-3-one IUPAC Name: 2-[3-chloro-5-methyl-4-(1-methylimidazol-2-yl)sulfanylphenyl]-4,5-dihydro-1,2,4-triazin-3-one Traditional Name: 2-[3-chloro-5-methyl-4-[(1-methylimidazol-2-yl)thio]phenyl]-4,5-dihydro-1,2,4-triazin-3-one Formula: C14H14ClN5OS MolecularWeight: 335.81186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=NC=CN2C)Cl)N3C(=O)NCC=N3

Isomeric SMILES

CC1=CC(=CC(=C1SC2=NC=CN2C)Cl)N3C(=O)NCC=N3

InChI

InChI=1S/C14H14ClN5OS/c1-9-7-10(20-13(21)16-3-4-18-20)8-11(15)12(9)22-14-17-5-6-19(14)2/h4-8H,3H2,1-2H3,(H,16,21)