6-[(4-bromophenyl)amino]-3-[(2,4-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazin-5-one

Systemtic Name: 6-[(4-bromophenyl)amino]-3-[(2,4-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazin-5-one Openeye Name: 4-allyl-6-(4-bromoanilino)-3-[(2,4-dimethylphenyl)methylsulfanyl]-1,2,4-triazin-5-one CAS Name: 6-(4-bromoanilino)-3-[(2,4-dimethylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazin-5-one IUPAC Name: 6-(4-bromoanilino)-3-[(2,4-dimethylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazin-5-one Traditional Name: 4-allyl-6-(4-bromoanilino)-3-[(2,4-dimethylbenzyl)thio]-1,2,4-triazin-5-one Formula: C21H21BrN4OS MolecularWeight: 457.38664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NN=C(C(=O)N2CC=C)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NN=C(C(=O)N2CC=C)NC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrN4OS/c1-4-11-26-20(27)19(23-18-9-7-17(22)8-10-18)24-25-21(26)28-13-16-6-5-14(2)12-15(16)3/h4-10,12H,1,11,13H2,2-3H3,(H,23,24)