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

Systemtic Name: 6-[(4-bromophenyl)amino]-3-(phenylmethylsulfanyl)-4-prop-2-enyl-1,2,4-triazin-5-one Openeye Name: 4-allyl-3-benzylsulfanyl-6-(4-bromoanilino)-1,2,4-triazin-5-one CAS Name: 6-(4-bromoanilino)-3-(phenylmethylthio)-4-prop-2-enyl-1,2,4-triazin-5-one IUPAC Name: 3-benzylsulfanyl-6-(4-bromoanilino)-4-prop-2-enyl-1,2,4-triazin-5-one Traditional Name: 4-allyl-3-(benzylthio)-6-(4-bromoanilino)-1,2,4-triazin-5-one Formula: C19H17BrN4OS MolecularWeight: 429.33348

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=NN=C1SCC2=CC=CC=C2)NC3=CC=C(C=C3)Br

Isomeric SMILES

C=CCN1C(=O)C(=NN=C1SCC2=CC=CC=C2)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H17BrN4OS/c1-2-12-24-18(25)17(21-16-10-8-15(20)9-11-16)22-23-19(24)26-13-14-6-4-3-5-7-14/h2-11H,1,12-13H2,(H,21,22)