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

Systemtic Name: 6-[(4-bromophenyl)amino]-3-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazin-5-one Openeye Name: 4-allyl-6-(4-bromoanilino)-3-[(4-tert-butylphenyl)methylsulfanyl]-1,2,4-triazin-5-one CAS Name: 6-(4-bromoanilino)-3-[(4-tert-butylphenyl)methylthio]-4-prop-2-enyl-1,2,4-triazin-5-one IUPAC Name: 6-(4-bromoanilino)-3-[(4-tert-butylphenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazin-5-one Traditional Name: 4-allyl-6-(4-bromoanilino)-3-[(4-tert-butylbenzyl)thio]-1,2,4-triazin-5-one Formula: C23H25BrN4OS MolecularWeight: 485.4398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrN4OS/c1-5-14-28-21(29)20(25-19-12-10-18(24)11-13-19)26-27-22(28)30-15-16-6-8-17(9-7-16)23(2,3)4/h5-13H,1,14-15H2,2-4H3,(H,25,26)