4-azanyl-3-dodecylsulfanyl-6-phenyl-1,2,4-triazin-5-one

Systemtic Name: 4-azanyl-3-dodecylsulfanyl-6-phenyl-1,2,4-triazin-5-one Openeye Name: 4-amino-3-dodecylsulfanyl-6-phenyl-1,2,4-triazin-5-one CAS Name: 4-amino-3-(dodecylthio)-6-phenyl-1,2,4-triazin-5-one IUPAC Name: 4-amino-3-dodecylsulfanyl-6-phenyl-1,2,4-triazin-5-one Traditional Name: 4-amino-3-(laurylthio)-6-phenyl-1,2,4-triazin-5-one Formula: C21H32N4OS MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1=NN=C(C(=O)N1N)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCSC1=NN=C(C(=O)N1N)C2=CC=CC=C2

InChI

InChI=1S/C21H32N4OS/c1-2-3-4-5-6-7-8-9-10-14-17-27-21-24-23-19(20(26)25(21)22)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17,22H2,1H3