5,6-bis(phenylmethylsulfanyl)-2H-1,2,4-triazin-3-one

Systemtic Name: 5,6-bis(phenylmethylsulfanyl)-2H-1,2,4-triazin-3-one Openeye Name: 5,6-bis(benzylsulfanyl)-2H-1,2,4-triazin-3-one CAS Name: 5,6-bis(phenylmethylthio)-2H-1,2,4-triazin-3-one IUPAC Name: 5,6-bis(benzylsulfanyl)-2H-1,2,4-triazin-3-one Traditional Name: 5,6-bis(benzylthio)-2H-1,2,4-triazin-3-one Formula: C17H15N3OS2 MolecularWeight: 341.4505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=O)NN=C2SCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=O)NN=C2SCC3=CC=CC=C3

InChI

InChI=1S/C17H15N3OS2/c21-17-18-15(22-11-13-7-3-1-4-8-13)16(19-20-17)23-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,18,20,21)