4-azanyl-3-[(4-bromophenyl)methylsulfanyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-[(4-bromophenyl)methylsulfanyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,2,4-triazin-5-one Openeye Name: 4-amino-3-[(4-bromophenyl)methylsulfanyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,2,4-triazin-5-one CAS Name: 4-amino-3-[(4-bromophenyl)methylthio]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[(4-bromophenyl)methylsulfanyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,2,4-triazin-5-one Traditional Name: 4-amino-3-[(4-bromobenzyl)thio]-6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,2,4-triazin-5-one Formula: C18H16BrN5O3S MolecularWeight: 462.32034

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC3=NN=C(N(C3=O)N)SCC4=CC=C(C=C4)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC3=NN=C(N(C3=O)N)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C18H16BrN5O3S/c19-12-3-1-11(2-4-12)10-28-18-23-22-16(17(25)24(18)20)21-13-5-6-14-15(9-13)27-8-7-26-14/h1-6,9H,7-8,10,20H2,(H,21,22)