4-azanyl-6-[(4-chlorophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-6-[(4-chlorophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one Openeye Name: 4-amino-6-[(4-chlorophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one CAS Name: 4-amino-6-[(4-chlorophenyl)methyl]-3-[(4-nitrophenyl)methylthio]-1,2,4-triazin-5-one IUPAC Name: 4-amino-6-[(4-chlorophenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one Traditional Name: 4-amino-6-(4-chlorobenzyl)-3-[(4-nitrobenzyl)thio]-1,2,4-triazin-5-one Formula: C17H14ClN5O3S MolecularWeight: 403.84276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=NN=C(N(C2=O)N)SCC3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CC2=NN=C(N(C2=O)N)SCC3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H14ClN5O3S/c18-13-5-1-11(2-6-13)9-15-16(24)22(19)17(21-20-15)27-10-12-3-7-14(8-4-12)23(25)26/h1-8H,9-10,19H2