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

Systemtic Name: 4-azanyl-3-[(4-nitrophenyl)methylsulfanyl]-6-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-5-one Openeye Name: 4-amino-6-[(4-isopropylphenyl)methyl]-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one CAS Name: 4-amino-3-[(4-nitrophenyl)methylthio]-6-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-[(4-nitrophenyl)methylsulfanyl]-6-[(4-propan-2-ylphenyl)methyl]-1,2,4-triazin-5-one Traditional Name: 4-amino-6-(4-isopropylbenzyl)-3-[(4-nitrobenzyl)thio]-1,2,4-triazin-5-one Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CC2=NN=C(N(C2=O)N)SCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CC2=NN=C(N(C2=O)N)SCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-13(2)16-7-3-14(4-8-16)11-18-19(26)24(21)20(23-22-18)29-12-15-5-9-17(10-6-15)25(27)28/h3-10,13H,11-12,21H2,1-2H3