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

Systemtic Name: 4-azanyl-3-[(4-nitrophenyl)methylsulfanyl]-6-(phenylmethyl)-1,2,4-triazin-5-one Openeye Name: 4-amino-6-benzyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one CAS Name: 4-amino-3-[(4-nitrophenyl)methylthio]-6-(phenylmethyl)-1,2,4-triazin-5-one IUPAC Name: 4-amino-6-benzyl-3-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazin-5-one Traditional Name: 4-amino-6-benzyl-3-[(4-nitrobenzyl)thio]-1,2,4-triazin-5-one Formula: C17H15N5O3S MolecularWeight: 369.3977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N5O3S/c18-21-16(23)15(10-12-4-2-1-3-5-12)19-20-17(21)26-11-13-6-8-14(9-7-13)22(24)25/h1-9H,10-11,18H2